@article{SandevTomovskiDubbeldametal.2018, author = {Sandev, Trifce and Tomovski, Zivorad and Dubbeldam, Johan L. A. and Chechkin, Aleksei V.}, title = {Generalized diffusion-wave equation with memory kernel}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {52}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {1}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/aaefa3}, pages = {22}, year = {2018}, abstract = {We study generalized diffusion-wave equation in which the second order time derivative is replaced by an integro-differential operator. It yields time fractional and distributed order time fractional diffusion-wave equations as particular cases. We consider different memory kernels of the integro-differential operator, derive corresponding fundamental solutions, specify the conditions of their non-negativity and calculate the mean squared displacement for all cases. In particular, we introduce and study generalized diffusion-wave equations with a regularized Prabhakar derivative of single and distributed orders. The equations considered can be used for modeling the broad spectrum of anomalous diffusion processes and various transitions between different diffusion regimes.}, language = {en} } @article{AnderssonSangelandBerggrenetal.2021, author = {Andersson, Edvin K. W. and S{\aa}ngeland, Christofer and Berggren, Elin and Johansson, Fredrik O. L. and K{\"u}hn, Danilo and Lindblad, Andreas and Mindemark, Jonas and Hahlin, Maria}, title = {Early-stage decomposition of solid polymer electrolytes in Li-metal batteries}, series = {Journal of materials chemistry : A, Materials for energy and sustainability}, volume = {9}, journal = {Journal of materials chemistry : A, Materials for energy and sustainability}, number = {39}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7488}, doi = {10.1039/d1ta05015j}, pages = {22462 -- 22471}, year = {2021}, abstract = {Development of functional and stable solid polymer electrolytes (SPEs) for battery applications is an important step towards both safer batteries and for the realization of lithium-based or anode-less batteries. The interface between the lithium and the solid polymer electrolyte is one of the bottlenecks, where severe degradation is expected. Here, the stability of three different SPEs - poly(ethylene oxide) (PEO), poly(epsilon-caprolactone) (PCL) and poly(trimethylene carbonate) (PTMC) - together with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt, is investigated after they have been exposed to lithium metal under UHV conditions. Degradation compounds, e.g. Li-O-R, LiF and LixSyOz, are identified for all SPEs using soft X-ray photoelectron spectroscopy. A competing degradation between polymer and salt is identified in the outermost surface region (<7 nm), and is dependent on the polymer host. PTMC:LiTFSI shows the most severe decomposition of both polymer and salt followed by PCL:LiTFSI and PEO:LiTFSI. In addition, the movement of lithium species through the decomposed interface shows large variation depending on the polymer electrolyte system.}, language = {en} } @article{SandevMetzlerChechkin2018, author = {Sandev, Trifce and Metzler, Ralf and Chechkin, Aleksei V.}, title = {From continuous time random walks to the generalized diffusion equation}, series = {Fractional calculus and applied analysis : an international journal for theory and applications}, volume = {21}, journal = {Fractional calculus and applied analysis : an international journal for theory and applications}, number = {1}, publisher = {De Gruyter}, address = {Berlin}, issn = {1311-0454}, doi = {10.1515/fca-2018-0002}, pages = {10 -- 28}, year = {2018}, abstract = {We obtain a generalized diffusion equation in modified or Riemann-Liouville form from continuous time random walk theory. The waiting time probability density function and mean squared displacement for different forms of the equation are explicitly calculated. We show examples of generalized diffusion equations in normal or Caputo form that encode the same probability distribution functions as those obtained from the generalized diffusion equation in modified form. The obtained equations are general and many known fractional diffusion equations are included as special cases.}, language = {en} } @article{SinghMetzlerSandev2020, author = {Singh, Rishu Kumar and Metzler, Ralf and Sandev, Trifce}, title = {Resetting dynamics in a confining potential}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {53}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {50}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/abc83a}, pages = {28}, year = {2020}, abstract = {We study Brownian motion in a confining potential under a constant-rate resetting to a reset position x(0). The relaxation of this system to the steady-state exhibits a dynamic phase transition, and is achieved in a light cone region which grows linearly with time. When an absorbing boundary is introduced, effecting a symmetry breaking of the system, we find that resetting aids the barrier escape only when the particle starts on the same side as the barrier with respect to the origin. We find that the optimal resetting rate exhibits a continuous phase transition with critical exponent of unity. Exact expressions are derived for the mean escape time, the second moment, and the coefficient of variation (CV).}, language = {en} } @article{SmirnovBolotovOsipovetal.2021, author = {Smirnov, Lev A. and Bolotov, Maxim I. and Osipov, Grigorij V. and Pikovskij, Arkadij}, title = {Disorder fosters chimera in an array of motile particles}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {104}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {3}, publisher = {American Physical Society}, address = {Melville, NY}, issn = {2470-0045}, doi = {10.1103/PhysRevE.104.034205}, pages = {8}, year = {2021}, abstract = {We consider an array of nonlocally coupled oscillators on a ring, which for equally spaced units possesses a Kuramoto-Battogtokh chimera regime and a synchronous state. We demonstrate that disorder in oscillators positions leads to a transition from the synchronous to the chimera state. For a static (quenched) disorder we find that the probability of synchrony survival depends on the number of particles, from nearly zero at small populations to one in the thermodynamic limit. Furthermore, we demonstrate how the synchrony gets destroyed for randomly (ballistically or diffusively) moving oscillators. We show that, depending on the number of oscillators, there are different scalings of the transition time with this number and the velocity of the units.}, language = {en} } @article{BreternitzSchorr2021, author = {Breternitz, Joachim and Schorr, Susan}, title = {Symmetry relations in wurtzite nitrides and oxide nitrides and the curious case of Pmc2(1)}, series = {Acta crystallographica / International Union of Crystallography. Section A, Foundations and advances}, volume = {77}, journal = {Acta crystallographica / International Union of Crystallography. Section A, Foundations and advances}, number = {3}, publisher = {Blackwell}, address = {Oxford [u.a.]}, issn = {2053-2733}, doi = {10.1107/S2053273320015971}, pages = {208 -- 216}, year = {2021}, abstract = {Binary III-V nitrides such as AlN, GaN and InN in the wurtzite-type structure have long been considered as potent semiconducting materials because of their optoelectronic properties, amongst others. With rising concerns over the utilization of scarce elements, a replacement of the trivalent cations by others in ternary and multinary nitrides has led to the development of different variants of nitrides and oxide nitrides crystallizing in lower-symmetry variants of wurtzite. This work presents the symmetry relationships between these structural types specific to nitrides and oxide nitrides and updates some prior work on this matter. The non-existence of compounds crystallizing in Pmc2(1), formally the highest subgroup of the wurtzite type fulfilling Pauling's rules for 1:1:2 stoichiometries, has been puzzling scientists for a while; a rationalization is given, from a crystallographic basis, of why this space group is unlikely to be adopted.}, language = {en} } @article{UjevicRashtiGiegetal.2022, author = {Ujevic, Maximiliano and Rashti, Alireza and Gieg, Henrique Leonhard and Tichy, Wolfgang and Dietrich, Tim}, title = {High-accuracy high-mass-ratio simulations for binary neutron stars and their comparison to existing waveform models}, series = {Physical review : D, Particles, fields, gravitation, and cosmology}, volume = {106}, journal = {Physical review : D, Particles, fields, gravitation, and cosmology}, number = {2}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0010}, doi = {10.1103/PhysRevD.106.023029}, pages = {10}, year = {2022}, abstract = {The subsequent observing runs of the advanced gravitational-wave detector network will likely provide us with various gravitational-wave observations of binary neutron star systems. For an accurate interpretation of these detections, we need reliable gravitational-wave models. To test and to point out how existing models could be improved, we perform a set of high-resolution numerical relativity simulations for four different physical setups with mass ratios q = 1.25, 1.50, 1.75, 2.00, and total gravitational mass M = 2.7 M???. Each configuration is simulated with five different resolutions to allow a proper error assessment. Overall, we find approximately second-order converging results for the dominant (2,2) mode, but also the subdominant (2,1), (3,3), and (4,4) modes, while generally, the convergence order reduces slightly for an increasing mass ratio. Our simulations allow us to validate waveform models, where we find generally good agreement between state-of-the-art models and our data, and to prove that scaling relations for higher modes currently employed for binary black hole waveform modeling also apply for the tidal contribution. Finally, we also test if the current NRTidal model used to describe tidal effects is a valid description for high-mass-ratio systems. We hope that our simulation results can be used to further improve and test waveform models in preparation for the next observing runs.}, language = {en} } @article{GerlachPreitschopfKaraevetal.2022, author = {Gerlach, Marius and Preitschopf, Tobias and Karaev, Emil and Quitian-Lara, Heidy Mayerly and Mayer, Dennis and Bozek, John and Fischer, Ingo and Fink, Reinhold F.}, title = {Auger electron spectroscopy of fulminic acid, HCNO}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {24}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {25}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d2cp02104h}, pages = {15217 -- 15229}, year = {2022}, abstract = {HCNO is a molecule of considerable astrochemical interest as a precursor to prebiotic molecules. It is synthesized by preparative pyrolysis and is unstable at room temperature. Here, we investigate its spectroscopy in the soft X-ray regime at the C 1s, N 1s and O 1s edges. All 1s ionization energies are reported and X-ray absorption spectra reveal the transitions from the 1s to the pi* state. Resonant and normal Auger electron spectra for the decay of the core hole states are recorded in a hemispherical analyzer. An assignment of the experimental spectra is provided with the aid of theoretical counterparts. The latter are using a valence configuration interaction representation of the intermediate and final state energies and wavefunctions, the one-center approximation for transition rates and band shapes according to the moment theory. The computed spectra are in very good agreement with the experimental data and most of the relevant bands are assigned. Additionally, we present a simple approach to estimate relative Auger transition rates on the basis of a minimal basis representation of the molecular orbitals. We demonstrate that this provides a qualitatively good and reliable estimate for several signals in the normal and resonant Auger electron spectra which have significantly different intensities in the decay of the three core holes.}, language = {en} } @article{JanowskiZoschkeScharffetal.2018, author = {Janowski, Marcin Andrzej and Zoschke, Reimo and Scharff, Lars B. and Jaime, Silvia Martinez and Ferrari, Camilla and Proost, Sebastian and Xiong, Jonathan Ng Wei and Omranian, Nooshin and Musialak-Lange, Magdalena and Nikoloski, Zoran and Graf, Alexander and Schoettler, Mark Aurel and Sampathkumar, Arun and Vaid, Neha and Mutwil, Marek}, title = {AtRsgA from Arabidopsis thaliana is important for maturation of the small subunit of the chloroplast ribosome}, series = {The plant journal}, volume = {96}, journal = {The plant journal}, number = {2}, publisher = {Wiley}, address = {Hoboken}, issn = {0960-7412}, doi = {10.1111/tpj.14040}, pages = {404 -- 420}, year = {2018}, abstract = {Plastid ribosomes are very similar in structure and function to the ribosomes of their bacterial ancestors. Since ribosome biogenesis is not thermodynamically favorable under biological conditions it requires the activity of many assembly factors. Here we have characterized a homolog of bacterial RsgA in Arabidopsis thaliana and show that it can complement the bacterial homolog. Functional characterization of a strong mutant in Arabidopsis revealed that the protein is essential for plant viability, while a weak mutant produced dwarf, chlorotic plants that incorporated immature pre-16S ribosomal RNA into translating ribosomes. Physiological analysis of the mutant plants revealed smaller, but more numerous, chloroplasts in the mesophyll cells, reduction of chlorophyll a and b, depletion of proplastids from the rib meristem and decreased photosynthetic electron transport rate and efficiency. Comparative RNA sequencing and proteomic analysis of the weak mutant and wild-type plants revealed that various biotic stress-related, transcriptional regulation and post-transcriptional modification pathways were repressed in the mutant. Intriguingly, while nuclear- and chloroplast-encoded photosynthesis-related proteins were less abundant in the mutant, the corresponding transcripts were increased, suggesting an elaborate compensatory mechanism, potentially via differentially active retrograde signaling pathways. To conclude, this study reveals a chloroplast ribosome assembly factor and outlines the transcriptomic and proteomic responses of the compensatory mechanism activated during decreased chloroplast function. Significance Statement AtRsgA is an assembly factor necessary for maturation of the small subunit of the chloroplast ribosome. Depletion of AtRsgA leads to dwarfed, chlorotic plants, a decrease of mature 16S rRNA and smaller, but more numerous, chloroplasts. Large-scale transcriptomic and proteomic analysis revealed that chloroplast-encoded and -targeted proteins were less abundant, while the corresponding transcripts were increased in the mutant. We analyze the transcriptional responses of several retrograde signaling pathways to suggest the mechanism underlying this compensatory response.}, language = {en} } @article{WangMosconiWolffetal.2019, author = {Wang, Qiong and Mosconi, Edoardo and Wolff, Christian Michael and Li, Junming and Neher, Dieter and De Angelis, Filippo and Suranna, Gian Paolo and Grisorio, Roberto and Abate, Antonio}, title = {Rationalizing the molecular design of hole-selective contacts to improve charge extraction in Perovskite solar cells}, series = {dvanced energy materials}, volume = {9}, journal = {dvanced energy materials}, number = {28}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201900990}, pages = {9}, year = {2019}, abstract = {Two new hole selective materials (HSMs) based on dangling methylsulfanyl groups connected to the C-9 position of the fluorene core are synthesized and applied in perovskite solar cells. Being structurally similar to a half of Spiro-OMeTAD molecule, these HSMs (referred as FS and DFS) share similar redox potentials but are endowed with slightly higher hole mobility, due to the planarity and large extension of their structure. Competitive power conversion efficiency (up to 18.6\%) is achieved by using the new HSMs in suitable perovskite solar cells. Time-resolved photoluminescence decay measurements and electrochemical impedance spectroscopy show more efficient charge extraction at the HSM/perovskite interface with respect to Spiro-OMeTAD, which is reflected in higher photocurrents exhibited by DFS/FS-integrated perovskite solar cells. Density functional theory simulations reveal that the interactions of methylammonium with methylsulfanyl groups in DFS/FS strengthen their electrostatic attraction with the perovskite surface, providing an additional path for hole extraction compared to the sole presence of methoxy groups in Spiro-OMeTAD. Importantly, the low-cost synthesis of FS makes it significantly attractive for the future commercialization of perovskite solar cells.}, language = {en} } @article{DeschlerNeherSchmidtMende2019, author = {Deschler, Felix and Neher, Dieter and Schmidt-Mende, Lukas}, title = {Perovskite semiconductors for next generation optoelectronic applications}, series = {APL Materials}, volume = {7}, journal = {APL Materials}, number = {8}, publisher = {American Institute of Physics}, address = {Melville}, issn = {2166-532X}, doi = {10.1063/1.5119744}, pages = {3}, year = {2019}, language = {en} } @article{HoermannZeiskeParketal.2019, author = {H{\"o}rmann, Ulrich and Zeiske, Stefan and Park, Soohyung and Schultz, Thorsten and Kickhoefel, Sebastian and Scherf, Ullrich and Blumstengel, Sylke and Koch, Norbert and Neher, Dieter}, title = {Direct observation of state-filling at hybrid tin oxide/organic interfaces}, series = {Applied physics letters}, volume = {114}, journal = {Applied physics letters}, number = {18}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0003-6951}, doi = {10.1063/1.5082704}, pages = {5}, year = {2019}, abstract = {Electroluminescence (EL) spectra of hybrid charge transfer states at metal oxide/organic type-II heterojunctions exhibit bias-induced spectral shifts. The reasons for this phenomenon have been discussed controversially and arguments for either electric field-induced effects or the filling of trap states at the oxide surface have been put forward. Here, we combine the results of EL and photovoltaic measurements to eliminate the unavoidable effect of the series resistance of inorganic and organic components on the total voltage drop across the hybrid device. For SnOx combined with the conjugated polymer [ladder type poly-(para-phenylene)], we find a one-to-one correspondence between the blue-shift of the EL peak and the increase of the quasi-Fermi level splitting at the hybrid heterojunction, which we unambiguously assign to state filling. Our data are resembled best by a model considering the combination of an exponential density of states with a doped semiconductor. Published under license by AIP Publishing.}, language = {en} } @article{SajediKrivenkovMarchenkoetal.2020, author = {Sajedi, Maryam and Krivenkov, Maxim and Marchenko, Dmitry and Varykhalov, Andrei and Sanchez-Barriga, Jaime and Rienks, Emile D. L. and Rader, Oliver}, title = {Absence of a giant Rashba effect in the valence band of lead halide perovskites}, series = {Physical review : B, Condensed matter and materials physics}, volume = {102}, journal = {Physical review : B, Condensed matter and materials physics}, number = {8}, publisher = {American Institute of Physics; American Physical Society (APS)}, address = {Woodbury, NY}, issn = {2469-9950}, doi = {10.1103/PhysRevB.102.081116}, pages = {6}, year = {2020}, abstract = {For hybrid organic-inorganic as well as all-inorganic lead halide perovskites a Rashba effect has been invoked to explain the high efficiency in energy conversion by prohibiting direct recombination. Both a bulk and surface Rashba effect have been predicted. In the valence band of methylammonium (MA) lead bromide a Rashba effect has been reported by angle-resolved photoemission and circular dichroism with giant values of 7-11 eV angstrom. We present band dispersion measurements of MAPbBr(3) and spin-resolved photoemission of CsPbBr3 to show that a large Rashba effect detectable by photoemission or circular dichroism does not exist and cannot be the origin of the high effciency.}, language = {en} } @article{JoštAlbrechtKegelmannetal.2017, author = {Jošt, Marko and Albrecht, Steve and Kegelmann, Lukas and Wolff, Christian Michael and Lang, Felix and Lipovšek, Benjamin and Krč, Janez and Korte, Lars and Neher, Dieter and Rech, Bernd and Topič, Marko}, title = {Efficient light management by textured nanoimprinted layers for perovskite solar cells}, series = {ACS photonics}, volume = {4}, journal = {ACS photonics}, publisher = {American Chemical Society}, address = {Washington}, issn = {2330-4022}, doi = {10.1021/acsphotonics.7b00138}, pages = {1232 -- 1239}, year = {2017}, abstract = {Inorganic-organic perovskites like methylammonium-lead-iodide have proven to be an effective class of 17 materials for fabricating efficient solar cells. To improve their performance, light management techniques using textured surfaces, similar to those used in established solar cell technologies, should be considered. Here, we apply a light management foil created by UV nanoimprint lithography on the glass side of an inverted (p-i-n) perovskite solar cell with 16.3\% efficiency. The obtained 1 mA cm(-2) increase in the short-circuit current density translates to a relative improvement in cell performance of 5\%, which results in a power conversion efficiency of 17.1\%. Optical 3D simulations based on experimentally obtained parameters were used to support the experimental findings. A good match between the simulated and experimental data was obtained, validating the model. Optical simulations reveal that the main improvement in device performance is due to a reduction in total reflection and that relative improvement in the short-circuit current density of up to 10\% is possible for large-area devices. Therefore, our results present the potential of light management foils for improving the device performance of perovskite solar cells and pave the way for further use of optical simulations in the field of perovskite solar cells.}, language = {en} } @article{VandewalBenduhnSchellhammeretal.2017, author = {Vandewal, Koen and Benduhn, Johannes and Schellhammer, Karl Sebastian and Vangerven, Tim and R{\"u}ckert, Janna E. and Piersimoni, Fortunato and Scholz, Reinhard and Zeika, Olaf and Fan, Yeli and Barlow, Stephen and Neher, Dieter and Marder, Seth R. and Manca, Jean and Spoltore, Donato and Cuniberti, Gianaurelio and Ortmann, Frank}, title = {Absorption Tails of Donor}, series = {Journal of the American Chemical Society}, volume = {139}, journal = {Journal of the American Chemical Society}, number = {4}, publisher = {American Chemical Society}, address = {Washington}, issn = {0002-7863}, doi = {10.1021/jacs.6b12857}, pages = {1699 -- 1704}, year = {2017}, abstract = {In disordered organic semiconductors, the transfer of a rather localized charge carrier from one site to another triggers a deformation of the molecular structure quantified by the intramolecular relaxation energy. A similar structural relaxation occurs upon population of intermolecular charge-transfer (CT) states formed at organic electron donor (D)-acceptor (A) interfaces. Weak CT absorption bands for D A complexes occur at photon energies below the optical gaps of both the donors and the C-60 acceptor as a result of optical transitions from the neutral ground state to the ionic CT state. In this work, we show that temperature-activated intramolecular vibrations of the ground state play a major role in determining the line shape of such CT absorption bands. This allows us to extract values for the relaxation energy related to the geometry change from neutral to ionic CT complexes. Experimental values for the relaxation energies of 20 D:C-60 CT complexes correlate with values calculated within density functional theory. These results provide an experimental method for determining the polaron relaxation energy in solid-state organic D-A blends and show the importance of a reduced relaxation energy, which we introduce to characterize thermally activated CT processes.}, language = {en} } @article{RolandKniepertLoveetal.2019, author = {Roland, Steffen and Kniepert, Juliane and Love, John A. and Negi, Vikas and Liu, Feilong and Bobbert, Peter and Melianas, Armantas and Kemerink, Martijn and Hofacker, Andreas and Neher, Dieter}, title = {Equilibrated Charge Carrier Populations Govern Steady-State Nongeminate Recombination in Disordered Organic Solar Cells}, series = {The journal of physical chemistry letters}, volume = {10}, journal = {The journal of physical chemistry letters}, number = {6}, publisher = {American Chemical Society}, address = {Washington}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00516}, pages = {1374 -- 1381}, year = {2019}, abstract = {We employed bias-assisted charge extraction techniques to investigate the transient and steady-state recombination of photogenerated charge carriers in complete devices of a disordered polymer-fullerene blend. Charge recombination is shown to be dispersive, with a significant slowdown of the recombination rate over time, consistent with the results from kinetic Monte Carlo simulations. Surprisingly, our experiments reveal little to no contributions from early time recombination of nonequilibrated charge carriers to the steady-state recombination properties. We conclude that energetic relaxation of photogenerated carriers outpaces any significant nongeminate recombination under application-relevant illumination conditions. With equilibrated charges dominating the steady-state recombination, quasi-equilibrium concepts appear suited for describing the open-circuit voltage of organic solar cells despite pronounced energetic disorder.}, language = {en} } @article{HosseiniTokmoldinLeeetal.2020, author = {Hosseini, Seyed Mehrdad and Tokmoldin, Nurlan and Lee, Young Woong and Zou, Yingping and Woo, Han Young and Neher, Dieter and Shoaee, Safa}, title = {Putting order into PM6:Y6 solar cells to reduce the langevin recombination in 400 nm thick junction}, series = {Solar RRL}, volume = {4}, journal = {Solar RRL}, number = {11}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2367-198X}, doi = {10.1002/solr.202000498}, pages = {7}, year = {2020}, abstract = {Increasing the active layer thickness without sacrificing the power conversion efficiency (PCE) is one of the great challenges faced by organic solar cells (OSCs) for commercialization. Recently, PM6:Y6 as an OSC based on a non-fullerene acceptor (NFA) has excited the community because of its PCE reaching as high as 15.9\%; however, by increasing the thickness, the PCE drops due to the reduction of the fill factor (FF). This drop is attributed to change in mobility ratio with increasing thickness. Furthermore, this work demonstrates that by regulating the packing and the crystallinity of the donor and the acceptor, through volumetric content of chloronaphthalene (CN) as a solvent additive, one can improve the FF of a thick PM6:Y6 device (approximate to 400 nm) from 58\% to 68\% (PCE enhances from 12.2\% to 14.4\%). The data indicate that the origin of this enhancement is the reduction of the structural and energetic disorders in the thick device with 1.5\% CN compared with 0.5\% CN. This correlates with improved electron and hole mobilities and a 50\% suppressed bimolecular recombination, such that the non-Langevin reduction factor is 180 times. This work reveals the role of disorder on the charge extraction and bimolecular recombination of NFA-based OSCs.}, language = {en} } @article{NikolisMischokSiegmundetal.2019, author = {Nikolis, Vasileios C. and Mischok, Andreas and Siegmund, Bernhard and Kublitski, Jonas and Jia, Xiangkun and Benduhn, Johannes and H{\"o}rmann, Ulrich and Neher, Dieter and Gather, Malte C. and Spoltore, Donato and Vandewal, Koen}, title = {Strong light-matter coupling for reduced photon energy losses in organic photovoltaics}, series = {Nature Communications}, volume = {10}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-019-11717-5}, pages = {8}, year = {2019}, abstract = {Strong light-matter coupling can re-arrange the exciton energies in organic semiconductors. Here, we exploit strong coupling by embedding a fullerene-free organic solar cell (OSC) photo-active layer into an optical microcavity, leading to the formation of polariton peaks and a red-shift of the optical gap. At the same time, the open-circuit voltage of the device remains unaffected. This leads to reduced photon energy losses for the low-energy polaritons and a steepening of the absorption edge. While strong coupling reduces the optical gap, the energy of the charge-transfer state is not affected for large driving force donor-acceptor systems. Interestingly, this implies that strong coupling can be exploited in OSCs to reduce the driving force for electron transfer, without chemical or microstructural modifications of the photoactive layer. Our work demonstrates that the processes determining voltage losses in OSCs can now be tuned, and reduced to unprecedented values, simply by manipulating the device architecture.}, language = {en} } @article{GarciaBenitoQuartiQuelozetal.2020, author = {Garc{\´i}a-Benito, In{\´e}s and Quarti, Claudio and Queloz, Valentin I. E. and Hofstetter, Yvonne J. and Becker-Koch, David and Caprioglio, Pietro and Neher, Dieter and Orlandi, Simonetta and Cavazzini, Marco and Pozzi, Gianluca and Even, Jacky and Nazeeruddin, Mohammad Khaja and Vaynzof, Yana and Grancini, Giulia}, title = {Fluorination of organic spacer impacts on the structural and optical response of 2D perovskites}, series = {Frontiers in Chemistry}, volume = {7}, journal = {Frontiers in Chemistry}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00946}, pages = {1 -- 11}, year = {2020}, abstract = {Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent structural and optical features in two-dimensional (2D) perovskites is paramount for material optimization. To obtain a deeper understanding of the relationship between spacers and the corresponding 2D perovskite film properties, we explore the influence of the partial substitution of hydrogen atoms by fluorine in an alkylammonium organic cation, resulting in (Lc)(2)PbI4 and (Lf)(2)PbI4 2D perovskites, respectively. Consequently, optical analysis reveals a clear 0.2 eV blue-shift in the excitonic position at room temperature. This result can be mainly attributed to a band gap opening, with negligible effects on the exciton binding energy. According to Density Functional Theory (DFT) calculations, the band gap increases due to a larger distortion of the structure that decreases the atomic overlap of the wavefunctions and correspondingly bandwidth of the valence and conduction bands. In addition, fluorination impacts the structural rigidity of the 2D perovskite, resulting in a stable structure at room temperature and the absence of phase transitions at a low temperature, in contrast to the widely reported polymorphism in some non-fluorinated materials that exhibit such a phase transition. This indicates that a small perturbation in the material structure can strongly influence the overall structural stability and related phase transition of 2D perovskites, making them more robust to any phase change. This work provides key information on how the fluorine content in organic spacer influence the structural distortion of 2D perovskites and their optical properties which possess remarkable importance for future optoelectronic applications, for instance in the field of light-emitting devices or sensors.}, language = {en} } @article{PoelkingBenduhnSpoltoreetal.2022, author = {Poelking, Carl and Benduhn, Johannes and Spoltore, Donato and Schwarze, Martin and Roland, Steffen and Piersimoni, Fortunato and Neher, Dieter and Leo, Karl and Vandewal, Koen and Andrienko, Denis}, title = {Open-circuit voltage of organic solar cells}, series = {Communications physics}, volume = {5}, journal = {Communications physics}, number = {1}, publisher = {Nature portfolio}, address = {Berlin}, issn = {2399-3650}, doi = {10.1038/s42005-022-01084-x}, pages = {7}, year = {2022}, abstract = {Organic photovoltaics (PV) is an energy-harvesting technology that offers many advantages, such as flexibility, low weight and cost, as well as environmentally benign materials and manufacturing techniques. Despite growth of power conversion efficiencies to around 19 \% in the last years, organic PVs still lag behind inorganic PV technologies, mainly due to high losses in open-circuit voltage. Understanding and improving open circuit voltage in organic solar cells is challenging, as it is controlled by the properties of a donor-acceptor interface where the optical excitations are separated into charge carriers. Here, we provide an electrostatic model of a rough donor-acceptor interface and test it experimentally on small molecule PV materials systems. The model provides concise relationships between the open-circuit voltage, photovoltaic gap, charge-transfer state energy, and interfacial morphology. In particular, we show that the electrostatic bias generated across the interface reduces the photovoltaic gap. This negative influence on open-circuit voltage can, however, be circumvented by adjusting the morphology of the donor-acceptor interface. Organic solar cells, despite their high power conversion efficiencies, suffer from open circuit voltage losses making them less appealing in terms of applications. Here, the authors, supported with experimental data on small molecule photovoltaic cells, relate open circuit voltage to photovoltaic gap, charge-transfer state energy, and donor-acceptor interfacial morphology.}, language = {en} } @article{VollbrechtTokmoldinSunetal.2022, author = {Vollbrecht, Joachim and Tokmoldin, Nurlan and Sun, Bowen and Brus, Viktor V. and Shoaee, Safa and Neher, Dieter}, title = {Determination of the charge carrier density in organic solar cells}, series = {Journal of applied physics}, volume = {131}, journal = {Journal of applied physics}, number = {22}, publisher = {American Institute of Physics}, address = {Melville, NY}, issn = {0021-8979}, doi = {10.1063/5.0094955}, pages = {18}, year = {2022}, abstract = {The increase in the performance of organic solar cells observed over the past few years has reinvigorated the search for a deeper understanding of the loss and extraction processes in this class of device. A detailed knowledge of the density of free charge carriers under different operating conditions and illumination intensities is a prerequisite to quantify the recombination and extraction dynamics. Differential charging techniques are a promising approach to experimentally obtain the charge carrier density under the aforementioned conditions. In particular, the combination of transient photovoltage and photocurrent as well as impedance and capacitance spectroscopy have been successfully used in past studies to determine the charge carrier density of organic solar cells. In this Tutorial, these experimental techniques will be discussed in detail, highlighting fundamental principles, practical considerations, necessary corrections, advantages, drawbacks, and ultimately their limitations. Relevant references introducing more advanced concepts will be provided as well. Therefore, the present Tutorial might act as an introduction and guideline aimed at new prospective users of these techniques as well as a point of reference for more experienced researchers. Published under an exclusive license by AIP Publishing.}, language = {en} } @article{SunSandbergNeheretal.2022, author = {Sun, Bowen and Sandberg, Oskar and Neher, Dieter and Armin, Ardalan and Shoaee, Safa}, title = {Wave optics of differential absorption spectroscopy in thick-junction organic solar cells}, series = {Physical review applied / The American Physical Society}, volume = {17}, journal = {Physical review applied / The American Physical Society}, number = {5}, publisher = {American Physical Society}, address = {College Park}, issn = {2331-7019}, doi = {10.1103/PhysRevApplied.17.054016}, pages = {12}, year = {2022}, abstract = {Differential absorption spectroscopy techniques serve as powerful techniques to study the excited species in organic solar cells. However, it has always been challenging to employ these techniques for characterizing thick-junction organic solar cells, especially when a reflective top contact is involved. In this work, we present a detailed and systematic study on how a combination of the presence of the interference effect and a nonuniform charge-distribution profile, severely manipulates experimental spectra and the decay dynamics. Furthermore, we provide a practical methodology to correct these optical artifacts in differential absorption spectroscopies. The results and the proposed correction method generally apply to all kinds of differential absorption spectroscopy techniques and various thin-film systems, such as organics, perovskites, kesterites, and two-dimensional materials. Notably, it is found that the shape of differential absorption spectra can be strongly distorted, starting from 150-nm active-layer thickness; this matches the thickness range of thick-junction organic solar cells and most perovskite solar cells and needs to be carefully considered in experiments. In addition, the decay dynamics of differential absorption spectra is found to be disturbed by optical artifacts under certain conditions. With the help of the proposed correction formalism, differential spectra and the decay dynamics can be characterized on the full device of thin-film solar cells in transmission mode and yield accurate and reliable results to provide design rules for further progress.}, language = {en} } @article{FritschKurpiersRolandetal.2022, author = {Fritsch, Tobias and Kurpiers, Jona and Roland, Steffen and Tokmoldin, Nurlan and Shoaee, Safa and Ferron, Thomas and Collins, Brian A. and Janietz, Silvia and Vandewal, Koen and Neher, Dieter}, title = {On the interplay between CT and singlet exciton emission in organic solar cells with small driving force and its impact on voltage loss}, series = {Advanced energy materials}, volume = {12}, journal = {Advanced energy materials}, number = {31}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.202200641}, pages = {11}, year = {2022}, abstract = {The interplay between free charge carriers, charge transfer (CT) states and singlet excitons (S-1) determines the recombination pathway and the resulting open circuit voltage (V-OC) of organic solar cells. By combining a well-aggregated low bandgap polymer with different blend ratios of the fullerenes PCBM and ICBA, the energy of the CT state (E-CT) is varied by 130 meV while leaving the S-1 energy of the polymer (ES1\[{E_{{{\rm{S}}_1}}}\]) unaffected. It is found that the polymer exciton dominates the radiative properties of the blend when ECT\[{E_{{\rm{CT}}}}\] approaches ES1\[{E_{{{\rm{S}}_1}}}\], while the V-OC remains limited by the non-radiative decay of the CT state. It is concluded that an increasing strength of the exciton in the optical spectra of organic solar cells will generally decrease the non-radiative voltage loss because it lowers the radiative V-OC limit (V-OC,V-rad), but not because it is more emissive. The analysis further suggests that electronic coupling between the CT state and the S-1 will not improve the V-OC, but rather reduce the V-OC,V-rad. It is anticipated that only at very low CT state absorption combined with a fairly high CT radiative efficiency the solar cell benefit from the radiative properties of the singlet excitons.}, language = {en} } @article{VilkAghionNathanetal.2022, author = {Vilk, Ohad and Aghion, Erez and Nathan, Ran and Toledo, Sivan and Metzler, Ralf and Assaf, Michael}, title = {Classification of anomalous diffusion in animal movement data using power spectral analysis}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {55}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {33}, publisher = {IOP Publishing}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/ac7e8f}, pages = {16}, year = {2022}, abstract = {The field of movement ecology has seen a rapid increase in high-resolution data in recent years, leading to the development of numerous statistical and numerical methods to analyse relocation trajectories. Data are often collected at the level of the individual and for long periods that may encompass a range of behaviours. Here, we use the power spectral density (PSD) to characterise the random movement patterns of a black-winged kite (Elanus caeruleus) and a white stork (Ciconia ciconia). The tracks are first segmented and clustered into different behaviours (movement modes), and for each mode we measure the PSD and the ageing properties of the process. For the foraging kite we find 1/f noise, previously reported in ecological systems mainly in the context of population dynamics, but not for movement data. We further suggest plausible models for each of the behavioural modes by comparing both the measured PSD exponents and the distribution of the single-trajectory PSD to known theoretical results and simulations.}, language = {en} } @article{VarykhalovFreyseAguileraetal.2020, author = {Varykhalov, Andrei and Freyse, Friedrich and Aguilera, Irene and Battiato, Marco and Krivenkov, Maxim and Marchenko, Dmitry and Bihlmayer, Gustav and Blugel, Stefan and Rader, Oliver and Sanchez-Barriga, Jaime}, title = {Effective mass enhancement and ultrafast electron dynamics of Au(111) surface state coupled to a quantum well}, series = {Physical Review Research}, volume = {2}, journal = {Physical Review Research}, number = {1}, publisher = {American Physical Society}, address = {Ridge, NY}, issn = {0031-9007}, doi = {10.1103/PhysRevResearch.2.013343}, pages = {1 -- 9}, year = {2020}, abstract = {We show that, although the equilibrium band dispersion of the Shockley-type surface state of two-dimensional Au(111) quantum films grown on W(110) does not deviate from the expected free-electron-like behavior, its nonequilibrium energy-momentum dispersion probed by time- and angle-resolved photoemission exhibits a remarkable kink above the Fermi level due to a significant enhancement of the effective mass. The kink is pronounced for certain thicknesses of the Au quantum well and vanishes in the very thin limit. We identify the kink as induced by the coupling between the Au(111) surface state and emergent quantum-well states which probe directly the buried gold-tungsten interface. The signatures of the coupling are further revealed by our time-resolved measurements which show that surface state and quantum-well states thermalize together behaving as dynamically locked electron populations. In particular, relaxation of hot carriers following laser excitation is similar for both surface state and quantum-well states and much slower than expected for a bulk metallic system. The influence of quantum confinement on the interplay between elementary scattering processes of the electrons at the surface and ultrafast carrier transport in the direction perpendicular to the surface is shown to be the reason for the slow electron dynamics.}, language = {en} } @article{SajediKrivenkovMarchenkoetal.2022, author = {Sajedi, Maryam and Krivenkov, Maxim and Marchenko, Dmitry and Sanchez-Barriga, Jaime and Chandran, Anoop K. and Varykhalov, Andrei and Rienks, Emile D. L. and Aguilera, Irene and Bl{\"u}gel, Stefan and Rader, Oliver}, title = {Is there a polaron signature in Angle-Resolved Photoemission of CsPbBr3?}, series = {Physical review letters}, volume = {128}, journal = {Physical review letters}, number = {17}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.128.176405}, pages = {7}, year = {2022}, abstract = {The formation of large polarons has been proposed as reason for the high defect tolerance, low mobility, low charge carrier trapping, and low nonradiative recombination rates of lead halide perovskites. Recently, direct evidence for large-polaron formation has been reported from a 50\% effective mass enhancement in angle-resolved photoemission of CsPbBr3 over theory for the orthorhombic structure. We present in-depth band dispersion measurements of CsPbBr3 and GW calculations, which lead to similar effective masses at the valence band maximum of 0.203 1 0.016 m0 in experiment and 0.226 m0 in orthorhombic theory. We argue that the effective mass can be explained solely on the basis of electron-electron correlation and largepolaron formation cannot be concluded from photoemission data.}, language = {en} } @article{SchubertFrischAllardetal.2017, author = {Schubert, Marcel and Frisch, Johannes and Allard, Sybille and Preis, Eduard and Scherf, Ullrich and Koch, Norbert and Neher, Dieter}, title = {Tuning side chain and main chain order in a prototypical donor-acceptor copolymer}, series = {Elementary Processes in Organic Photovoltaics}, volume = {272}, journal = {Elementary Processes in Organic Photovoltaics}, publisher = {Springer}, address = {Berlin}, isbn = {978-3-319-28338-8}, issn = {0065-3195}, doi = {10.1007/978-3-319-28338-8_10}, pages = {243 -- 265}, year = {2017}, abstract = {The recent development of donor-acceptor copolymers has led to an enormous improvement in the performance of organic solar cells and organic field-effect transistors. Here we describe the synthesis, detailed characterisation, and application of a series of structurally modified copolymers to investigate fundamental structure-property relationships in this class of conjugated polymers. The interplay between chemical structure and optoelectronic properties is investigated. These are further correlated to the charge transport and solar cell performance, which allows us to link their chemical structure to the observed physical properties.}, language = {en} } @article{HofmannZuefleShimizuetal.2019, author = {Hofmann, Alexander J. L. and Z{\"u}fle, Simon and Shimizu, Kohei and Schmid, Markus and Wessels, Vivien and J{\"a}ger, Lars and Altazin, Stephane and Ikegami, Keitaro and Khan, Motiur Rahman and Neher, Dieter and Ishii, Hisao and Ruhstaller, Beat and Br{\"u}tting, Wolfgang}, title = {Dipolar Doping of Organic Semiconductors to Enhance Carrier Injection}, series = {Physical review applied}, volume = {12}, journal = {Physical review applied}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {2331-7019}, doi = {10.1103/PhysRevApplied.12.064052}, pages = {11}, year = {2019}, abstract = {If not oriented perfectly isotropically, the strong dipole moment of polar organic semiconductor materials such as tris-(8-hydroxyquinolate)aluminum (Alq3) will lead to the buildup of a giant surface potential (GSP) and thus to a macroscopic dielectric polarization of the organic film. Despite this having been a known fact for years, the implications of such high potentials within an organic layer stack have only been studied recently. In this work, the influence of the GSP on hole injection into organic layers is investigated. Therefore, we apply a concept called dipolar doping to devices consisting of the prototypical organic materials N,N′-Di(1-naphthyl)-N,N′-diphenyl-(1,1′-biphenyl)-4,4′-diamine (NPB) as nonpolar host and Alq3 as dipolar dopant with different mixing ratios to tune the GSP. The mixtures are investigated in single-layer monopolar devices as well as bilayer metal/insulator/semiconductor structures. Characterization is done electrically using current-voltage (I-V) characteristics, impedance spectroscopy, and charge extraction by linearly increasing voltage and time of flight, as well as with ultraviolet photoelectron spectroscopy. We find a maximum in device performance for moderate to low doping concentrations of the polar species in the host. The observed behavior can be described on the basis of the Schottky effect for image-force barrier lowering, if the changes in the interface dipole, the carrier mobility, and the GSP induced by dipolar doping are taken into account.}, language = {en} } @article{YuanZhangQiuetal.2022, author = {Yuan, Jun and Zhang, Chujun and Qiu, Beibei and Liu, Wei and So, Shu Kong and Mainville, Mathieu and Leclerc, Mario and Shoaee, Safa and Neher, Dieter and Zou, Yingping}, title = {Effects of energetic disorder in bulk heterojunction organic solar cells}, series = {Energy \& environmental science}, volume = {15}, journal = {Energy \& environmental science}, number = {7}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1754-5692}, doi = {10.1039/d2ee00271j}, pages = {2806 -- 2818}, year = {2022}, abstract = {Organic solar cells (OSCs) have progressed rapidly in recent years through the development of novel organic photoactive materials, especially non-fullerene acceptors (NFAs). Consequently, OSCs based on state-of-the-art NFAs have reached significant milestones, such as similar to 19\% power conversion efficiencies (PCEs) and small energy losses (less than 0.5 eV). Despite these significant advances, understanding of the interplay between molecular structure and optoelectronic properties lags significantly behind. For example, despite the theoretical framework for describing the energetic disorder being well developed for the case of inorganic semiconductors, the question of the applicability of classical semiconductor theories in analyzing organic semiconductors is still under debate. A general observation in the inorganic field is that inorganic photovoltaic materials possessing a polycrystalline microstructure exhibit suppressed disorder properties and better charge carrier transport compared to their amorphous analogs. Accordingly, this principle extends to the organic semiconductor field as many organic photovoltaic materials are synthesized to pursue polycrystalline-like features. Yet, there appears to be sporadic examples that exhibit an opposite trend. However, full studies decoupling energetic disorder from aggregation effects have largely been left out. Hence, the potential role of the energetic disorder in OSCs has received little attention. Interestingly, recently reported state-of-the-art NFA-based devices could achieve a small energetic disorder and high PCE at the same time; and interest in this investigation related to the disorder properties in OSCs was revived. In this contribution, progress in terms of the correlation between molecular design and energetic disorder is reviewed together with their effects on the optoelectronic mechanism and photovoltaic performance. Finally, the specific challenges and possible solutions in reducing the energetic disorder of OSCs from the viewpoint of materials and devices are proposed.}, language = {en} } @article{HoermannZeiskePiersimonietal.2018, author = {H{\"o}rmann, Ulrich and Zeiske, Stefan and Piersimoni, Fortunato and Hoffmann, Lukas and Schlesinger, Raphael and Koch, Norbert and Riedl, Thomas and Andrienko, Denis and Neher, Dieter}, title = {Stark effect of hybrid charge transfer states at planar ZnO/organic interfaces}, series = {Physical review : B, Condensed matter and materials physics}, volume = {98}, journal = {Physical review : B, Condensed matter and materials physics}, number = {15}, publisher = {American Physical Society}, address = {College Park}, issn = {2469-9950}, doi = {10.1103/PhysRevB.98.155312}, pages = {9}, year = {2018}, abstract = {We investigate the bias dependence of the hybrid charge transfer state emission at planar heterojunctions between the metal oxide acceptor ZnO and three donor molecules. The electroluminescence peak energy linearly increases with the applied bias, saturating at high fields. Variation of the organic layer thickness and deliberate change of the ZnO conductivity through controlled photodoping allow us to confirm that this bias-induced spectral shift relates to the internal electric field in the organic layer rather than the filling of states at the hybrid interface. We show that existing continuum models overestimate the hole delocalization and propose a simple electrostatic model in which the linear and quadratic Stark effects are explained by the electrostatic interaction of a strongly polarizable molecular cation with its mirror image.}, language = {en} } @article{MansourLungwitzSchultzetal.2020, author = {Mansour, Ahmed E. and Lungwitz, Dominique and Schultz, Thorsten and Arvind, Malavika and Valencia, Ana M. and Cocchi, Caterina and Opitz, Andreas and Neher, Dieter and Koch, Norbert}, title = {The optical signatures of molecular-doping induced polarons in poly(3-hexylthiophene-2,5-diyl)}, series = {Journal of materials chemistry : C, Materials for optical and electronic devices}, volume = {8}, journal = {Journal of materials chemistry : C, Materials for optical and electronic devices}, number = {8}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7526}, doi = {10.1039/c9tc06509a}, pages = {2870 -- 2879}, year = {2020}, abstract = {Optical absorption spectroscopy is a key method to investigate doped conjugated polymers and to characterize the doping-induced charge carriers, i.e., polarons. For prototypical poly(3-hexylthiophene-2,5-diyl) (P3HT), the absorption intensity of molecular dopant induced polarons is widely used to estimate the carrier density and the doping efficiency, i.e., the number of polarons formed per dopant molecule. However, the dependence of the polaron-related absorption features on the structure of doped P3HT, being either aggregates or separated individual chains, is not comprehensively understood in contrast to the optical absorption features of neutral P3HT. In this work, we unambiguously differentiate the optical signatures of polarons on individual P3HT chains and aggregates in solution, notably the latter exhibiting the same shape as aggregates in solid thin films. This is enabled by employing tris(pentafluorophenyl)borane (BCF) as dopant, as this dopant forms only ion pairs with P3HT and no charge transfer complexes, and BCF and its anion have no absorption in the spectral region of P3HT polarons. Polarons on individual chains exhibit absorption peaks at 1.5 eV and 0.6 eV, whereas in aggregates the high-energy peak is split into a doublet 1.3 eV and 1.65 eV, and the low-energy peak is shifted below 0.5 eV. The dependence of the fraction of solvated individual chains versus aggregates on absolute solution concentration, dopant concentration, and temperature is elucidated, and we find that aggregates predominate in solution under commonly used processing conditions. Aggregates in BCF-doped P3HT solution can be effectively removed upon simple filtering. From varying the filter pore size (down to 200 nm) and thin film morphology characterization with scanning force microscopy we reveal the aggregates' size dependence on solution absolute concentration and dopant concentration. Furthermore, X-ray photoelectron spectroscopy shows that the dopant loading in aggregates is higher than for individual P3HT chains. The results of this study help understanding the impact of solution pre-aggregation on thin film properties of molecularly doped P3HT, and highlight the importance of considering such aggregation for other doped conjugated polymers in general.}, language = {en} } @article{AbeysekaraArchambaultArcheretal.2017, author = {Abeysekara, A. U. and Archambault, S. and Archer, A. and Benbow, Wystan and Bird, Ralph and Buchovecky, M. and Buckley, J. H. and Bugaev, V. and Byrum, K. and Cerruti, M. and Chen, X. and Ciupik, L. and Cui, W. and Dickinson, H. J. and Eisch, J. D. and Errando, M. and Falcone, A. and Feng, Q. and Finley, J. P. and Fleischhack, H. and Fortson, L. and Furniss, A. and Gillanders, G. H. and Griffin, S. and Grube, J. and Hutten, M. and Hakansson, N. and Hanna, D. and Holder, J. and Humensky, T. B. and Johnson, C. A. and Kaaret, P. and Kar, P. and Kertzman, M. and Kieda, D. and Krause, M. and Krennrich, F. and Kumar, S. and Lang, M. J. and Maier, G. and McArthur, S. and McCann, A. and Meagher, K. and Moriarty, P. and Mukherjee, R. and Nguyen, T. and Nieto, D. and Ong, R. A. and Otte, A. N. and Park, N. and Pelassa, V. and Pohl, Martin and Popkow, A. and Pueschel, Elisa and Quinn, J. and Ragan, K. and Reynolds, P. T. and Richards, G. T. and Roache, E. and Rulten, C. and Santander, M. and Sembroski, G. H. and Shahinyan, K. and Staszak, D. and Telezhinsky, Igor O. and Tucci, J. V. and Tyler, J. and Wakely, S. P. and Weiner, O. M. and Weinstein, A. and Wilhelm, Alina and Williams, D. A. and Fegan, S. and Giebels, B. and Horan, D. and Berdyugin, A. and Kuan, J. and Lindfors, E. and Nilsson, K. and Oksanen, A. and Prokoph, H. and Reinthal, R. and Takalo, L. and Zefi, F.}, title = {A Luminous and Isolated Gamma-Ray Flare from the Blazar B2 1215+30}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, volume = {836}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, number = {2}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, organization = {VERITAS Collaboration;Fermi-LAT Collaboration}, issn = {0004-637X}, doi = {10.3847/1538-4357/836/2/205}, pages = {6}, year = {2017}, abstract = {B2 1215+30 is a BL-Lac-type blazar that was first detected at TeV energies by the MAGIC atmospheric Cherenkov telescopes and subsequently confirmed by the Very Energetic Radiation Imaging Telescope Array System (VERITAS) observatory with data collected between 2009 and 2012. In 2014 February 08, VERITAS detected a large-amplitude flare from B2. 1215+30 during routine monitoring observations of the blazar 1ES. 1218+304, located in the same field of view. The TeV flux reached 2.4 times the Crab Nebula flux with a variability timescale of <3.6 hr. Multiwavelength observations with Fermi-LAT, Swift, and the Tuorla Observatory revealed a correlated high GeV flux state and no significant optical counterpart to the flare, with a spectral energy distribution where the gamma-ray luminosity exceeds the synchrotron luminosity. When interpreted in the framework of a onezone leptonic model, the observed emission implies a high degree of beaming, with Doppler factor delta > 10, and an electron population with spectral index p < 2.3.}, language = {en} } @article{RashtiFabbriBruegmannetal.2022, author = {Rashti, Alireza and Fabbri, Francesco Maria and Br{\"u}gmann, Bernd and Chaurasia, Swami Vivekanandji and Dietrich, Tim and Ujevic, Maximiliano and Tichy, Wolfgang}, title = {New pseudospectral code for the construction of initial data}, series = {Physical review D}, volume = {105}, journal = {Physical review D}, number = {10}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0010}, doi = {10.1103/PhysRevD.105.104027}, pages = {18}, year = {2022}, abstract = {Numerical studies of the dynamics of gravitational systems, e.g., black hole-neutron star systems, require physical and constraint-satisfying initial data. In this article, we present the newly developed pseudospectral code ELLIPTICA, an infrastructure for construction of initial data for various binary and single gravitational systems of all kinds. The elliptic equations under consideration are solved on a single spatial hypersurface of the spacetime manifold. Using coordinate maps, the hypersurface is covered by patches whose boundaries can adapt to the surface of the compact objects. To solve elliptic equations with arbitrary boundary condition, ELLIPTICA deploys a Schur complement domain decomposition method with a direct solver. In this version, we use cubed sphere coordinate maps and the fields are expanded using Chebyshev polynomials of the first kind. Here, we explain the building blocks of ELLIPTICA and the initial data construction algorithm for a black hole-neutron star binary system. We perform convergence tests and evolve the data to validate our results. Within our framework, the neutron star can reach spin values close to breakup with arbitrary direction, while the black hole can have arbitrary spin with dimensionless spin magnitude ∼0.8.}, language = {en} } @article{SchickEckertPontiusetal.2016, author = {Schick, Daniel and Eckert, Sebastian and Pontius, Niko and Mitzner, Rolf and F{\"o}hlisch, Alexander and Holldack, Karsten and Sorgenfrei, Nomi}, title = {Versatile soft X-ray-optical cross-correlator for ultrafast applications}, series = {Structural dynamics}, volume = {3}, journal = {Structural dynamics}, publisher = {American Institute of Physics}, address = {Melville}, issn = {2329-7778}, doi = {10.1063/1.4964296}, pages = {054304-1 -- 054304-8}, year = {2016}, abstract = {We present an X-ray-optical cross-correlator for the soft (> 150 eV) up to the hard X-ray regime based on a molybdenum-silicon superlattice. The cross-correlation is done by probing intensity and position changes of superlattice Bragg peaks caused by photoexcitation of coherent phonons. This approach is applicable for a wide range of X-ray photon energies as well as for a broad range of excitation wavelengths and requires no external fields or changes of temperature. Moreover, the cross-correlator can be employed on a 10 ps or 100 fs time scale featuring up to 50\% total X-ray reflectivity and transient signal changes of more than 20\%. (C) 2016 Author(s).}, language = {en} } @article{PfeiferBeierAlirezaeizanjanietal.2022, author = {Pfeifer, Veronika and Beier, S{\"o}nke and Alirezaeizanjani, Zahra and Beta, Carsten}, title = {Role of the two flagellar stators in swimming motility of pseudomonas putida}, series = {mBio}, volume = {13}, journal = {mBio}, number = {6}, publisher = {American Society for Microbiology}, address = {Washington}, issn = {2150-7511}, doi = {10.1128/mbio.02182-22}, pages = {12}, year = {2022}, abstract = {In the soil bacterium Pseudomonas putida, the motor torque for flagellar rotation is generated by the two stators MotAB and MotCD. Here, we construct mutant strains in which one or both stators are knocked out and investigate their swimming motility in fluids of different viscosity and in heterogeneous structured environments (semisolid agar). Besides phase-contrast imaging of single-cell trajectories and spreading cultures, dual-color fluorescence microscopy allows us to quantify the role of the stators in enabling P. putida's three different swimming modes, where the flagellar bundle pushes, pulls, or wraps around the cell body. The MotAB stator is essential for swimming motility in liquids, while spreading in semisolid agar is not affected. Moreover, if the MotAB stator is knocked out, wrapped mode formation under low-viscosity conditions is strongly impaired and only partly restored for increased viscosity and in semisolid agar. In contrast, when the MotCD stator is missing, cells are indistinguishable from the wild type in fluid experiments but spread much more slowly in semisolid agar. Analysis of the microscopic trajectories reveals that the MotCD knockout strain forms sessile clusters, thereby reducing the number of motile cells, while the swimming speed is unaffected. Together, both stators ensure a robust wild type that swims efficiently under different environmental conditions. IMPORTANCE Because of its heterogeneous habitat, the soil bacterium Pseudomonas putida needs to swim efficiently under very different environmental conditions. In this paper, we knocked out the stators MotAB and MotCD to investigate their impact on the swimming motility of P. putida. While the MotAB stator is crucial for swimming in fluids, in semisolid agar, both stators are sufficient to sustain a fast-swimming phenotype and increased frequencies of the wrapped mode, which is known to be beneficial for escaping mechanical traps. However, in contrast to the MotAB knockout, a culture of MotCD knockout cells spreads much more slowly in the agar, as it forms nonmotile clusters that reduce the number of motile cells. Because of its heterogeneous habitat, the soil bacterium Pseudomonas putida needs to swim efficiently under very different environmental conditions. In this paper, we knocked out the stators MotAB and MotCD to investigate their impact on the swimming motility of P. putida.}, language = {en} } @article{MarkoetterSintschukBritzkeetal.2022, author = {Mark{\"o}tter, Henning and Sintschuk, Michael and Britzke, Ricardo and Dayani, Shahabeddin and Bruno, Giovanni}, title = {Upgraded imaging capabilities at the BAMline (BESSY II)}, series = {Journal of synchrotron radiation}, volume = {29}, journal = {Journal of synchrotron radiation}, number = {5}, publisher = {International Union of Crystallography}, address = {Chester}, issn = {1600-5775}, doi = {10.1107/S1600577522007342}, pages = {1292 -- 1298}, year = {2022}, abstract = {The BAMline at the BESSY II synchrotron X-ray source has enabled research for more than 20 years in widely spread research fields such as materials science, biology, cultural heritage and medicine. As a nondestructive characterization method, synchrotron X-ray imaging, especially tomography, plays a particularly important role in structural characterization. A recent upgrade of key equipment of the BAMline widens its imaging capabilities: shorter scan acquisition times are now possible, in situ and op erando studies can now be routinely performed, and different energy spectra can easily be set up. In fact, the upgraded double-multilayer monochromator brings full flexibility by yielding different energy spectra to optimize flux and energy resolution as desired. The upgraded detector (based on an sCMOS camera) also allows exploiting the higher flux with reduced readout times. Furthermore, an installed slip ring allows the sample stage to continuously rotate. The latter feature enables tomographic observation of processes occurring in the time scale of a few seconds.}, language = {en} } @article{CestnikMauRosenblum2022, author = {Cestnik, Rok and Mau, Erik T. K. and Rosenblum, Michael}, title = {Inferring oscillator's phase and amplitude response from a scalar signal exploiting test stimulation}, series = {New journal of physics : the open-access journal for physics}, volume = {24}, journal = {New journal of physics : the open-access journal for physics}, number = {12}, publisher = {Dt. Physikalische Ges., IOP}, address = {Bad Honnef, London}, issn = {1367-2630}, doi = {10.1088/1367-2630/aca70a}, pages = {27}, year = {2022}, abstract = {The phase sensitivity curve or phase response curve (PRC) quantifies the oscillator's reaction to stimulation at a specific phase and is a primary characteristic of a self-sustained oscillatory unit. Knowledge of this curve yields a phase dynamics description of the oscillator for arbitrary weak forcing. Similar, though much less studied characteristic, is the amplitude response that can be defined either using an ad hoc approach to amplitude estimation or via the isostable variables. Here, we discuss the problem of the phase and amplitude response inference from observations using test stimulation. Although PRC determination for noise-free neuronal-like oscillators perturbed by narrow pulses is a well-known task, the general case remains a challenging problem. Even more challenging is the inference of the amplitude response. This characteristic is crucial, e.g. for controlling the amplitude of the collective mode in a network of interacting units-a task relevant to neuroscience. Here, we compare the performance of different techniques suitable for inferring the phase and amplitude response, particularly with application to macroscopic oscillators. We suggest improvements to these techniques, e.g. demonstrating how to obtain the PRC in case of stimuli of arbitrary shape. Our main result is a novel technique denoted by IPID-1, based on the direct reconstruction of the Winfree equation and the analogous first-order equation for isostable dynamics. The technique works for signals with or without well-pronounced marker events and pulses of arbitrary shape; in particular, we consider charge-balanced pulses typical in neuroscience applications. Moreover, this technique is superior for noisy and high-dimensional systems. Additionally, we describe an error measure that can be computed solely from data and complements any inference technique.}, language = {en} } @article{WoodfieldHorneGlauertetal.2018, author = {Woodfield, Emma E. and Horne, Richard B. and Glauert, S. A. and Menietti, J. D. and Shprits, Yuri and Kurth, William S.}, title = {Formation of electron radiation belts at Saturn by Z-mode wave acceleration}, series = {Nature Communications}, volume = {9}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-018-07549-4}, pages = {7}, year = {2018}, abstract = {At Saturn electrons are trapped in the planet's magnetic field and accelerated to relativistic energies to form the radiation belts, but how this dramatic increase in electron energy occurs is still unknown. Until now the mechanism of radial diffusion has been assumed but we show here that in-situ acceleration through wave particle interactions, which initial studies dismissed as ineffectual at Saturn, is in fact a vital part of the energetic particle dynamics there. We present evidence from numerical simulations based on Cassini spacecraft data that a particular plasma wave, known as Z-mode, accelerates electrons to MeV energies inside 4 RS (1 RS = 60,330 km) through a Doppler shifted cyclotron resonant interaction. Our results show that the Z-mode waves observed are not oblique as previously assumed and are much better accelerators than O-mode waves, resulting in an electron energy spectrum that closely approaches observed values without any transport effects included.}, language = {en} } @article{CaoNiSummersetal.2019, author = {Cao, Xing and Ni, Binbin and Summers, Danny and Shprits, Yuri and Gu, Xudong and Fu, Song and Lou, Yuequn and Zhang, Yang and Ma, Xin and Zhang, Wenxun and Huang, He and Yi, Juan}, title = {Sensitivity of EMIC wave-driven scattering loss of ring current protons to wave normal angle distribution}, series = {Geophysical research letters}, volume = {46}, journal = {Geophysical research letters}, number = {2}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1029/2018GL081550}, pages = {590 -- 598}, year = {2019}, abstract = {Electromagnetic ion cyclotron waves have long been recognized to play a crucial role in the dynamic loss of ring current protons. While the field-aligned propagation approximation of electromagnetic ion cyclotron waves was widely used to quantify the scattering loss of ring current protons, in this study, we find that the wave normal distribution strongly affects the pitch angle scattering efficiency of protons. Increase of peak normal angle or angular width can considerably reduce the scattering rates of <= 10 keV protons. For >10 keV protons, the field-aligned propagation approximation results in a pronounced underestimate of the scattering of intermediate equatorial pitch angle protons and overestimates the scattering of high equatorial pitch angle protons by orders of magnitude. Our results suggest that the wave normal distribution of electromagnetic ion cyclotron waves plays an important role in the pitch angle evolution and scattering loss of ring current protons and should be incorporated in future global modeling of ring current dynamics.}, language = {en} } @article{KurthsAgarwalShuklaetal.2019, author = {Kurths, J{\"u}rgen and Agarwal, Ankit and Shukla, Roopam and Marwan, Norbert and Maheswaran, Rathinasamy and Caesar, Levke and Krishnan, Raghavan and Merz, Bruno}, title = {Unravelling the spatial diversity of Indian precipitation teleconnections via a non-linear multi-scale approach}, series = {Nonlinear processes in geophysics}, volume = {26}, journal = {Nonlinear processes in geophysics}, number = {3}, publisher = {Copernicus}, address = {G{\"o}ttingen}, issn = {1023-5809}, doi = {10.5194/npg-26-251-2019}, pages = {251 -- 266}, year = {2019}, abstract = {A better understanding of precipitation dynamics in the Indian subcontinent is required since India's society depends heavily on reliable monsoon forecasts. We introduce a non-linear, multiscale approach, based on wavelets and event synchronization, for unravelling teleconnection influences on precipitation. We consider those climate patterns with the highest relevance for Indian precipitation. Our results suggest significant influences which are not well captured by only the wavelet coherence analysis, the state-of-the-art method in understanding linkages at multiple timescales. We find substantial variation across India and across timescales. In particular, El Ni{\~n}o-Southern Oscillation (ENSO) and the Indian Ocean Dipole (IOD) mainly influence precipitation in the south-east at interannual and decadal scales, respectively, whereas the North Atlantic Oscillation (NAO) has a strong connection to precipitation, particularly in the northern regions. The effect of the Pacific Decadal Oscillation (PDO) stretches across the whole country, whereas the Atlantic Multidecadal Oscillation (AMO) influences precipitation particularly in the central arid and semi-arid regions. The proposed method provides a powerful approach for capturing the dynamics of precipitation and, hence, helps improve precipitation forecasting.}, language = {en} } @article{DebMolhoBarbara2021, author = {Deb, Marwan and Molho, Pierre and Barbara, Bernard}, title = {Tunable exchange-bias-like effect in bi-substituted Gadolinium iron garnet film}, series = {Physical review applied}, volume = {15}, journal = {Physical review applied}, number = {5}, publisher = {American Physical Society}, address = {College Park}, issn = {2331-7019}, doi = {10.1103/PhysRevApplied.15.054064}, pages = {7}, year = {2021}, abstract = {Using magneto-optical Faraday and Kerr measurements, we investigate the magnetic and magnetooptical properties of a thick Bi-substituted gadolinium iron garnet film over a broad range of wavelengths (250-850 nm) and temperatures (150-300 K), including the magnetization compensation point, TM. We observe an exchange-bias-like effect in the vicinity of TM. By slightly changing the sample temperature, we can precisely tune the bias field, which reaches a magnitude 6 times higher than the coercive field. We explain this phenomenon by considering the short-range superexchange interaction and a change in the magnetic behavior when moving from the surface to the bulk of the film. This finding may lead to the development of single-film magneto-optical devices based on the exchange-bias effect.}, language = {en} } @article{RieseVogelsangSchroederetal.2022, author = {Riese, Josef and Vogelsang, Christoph and Schr{\"o}der, Jan and Borowski, Andreas and Kulgemeyer, Christoph and Reinhold, Peter and Schecker, Horst}, title = {The development of lesson planning skills in the subject of physics}, series = {Zeitschrift f{\"u}r Erziehungswissenschaft}, journal = {Zeitschrift f{\"u}r Erziehungswissenschaft}, number = {4}, publisher = {Springer VS/Springer Fachmedien Wiesbaden GmbH}, address = {Wiesbaden}, issn = {1434-663X}, doi = {10.1007/s11618-022-01112-0}, pages = {843 -- 867}, year = {2022}, abstract = {One main goal of university teacher education is the first acquisition of skills for theory-driven lesson planning. According to models of teachers' professional competence, it is assumed that the acquired professional knowledge represents an essential basis for the development of planning skills. Learning opportunities to apply this professional knowledge often occur in school internships, usually in advanced semesters of teacher education programs. It is also assumed that practical experience within lesson planning supports the formation of professional knowledge. However, the relationship between the extent of professional knowledge and the development of skills to plan a lesson lacks evidence. There is a particular challenge in measuring lesson planning skills both authentically and standardized. To evaluate the mentioned relationship, a longitudinal pre-post-study with prospective physics-teachers (N = 68 in the longitudinal section) was conducted at four German universities. Pre-service physics teachers' skills to plan a lesson were assessed with a standardized performance assessment at the beginning and at the end of a longterm-internship. This assessment consists of planning a physics lesson, conveying Newton's third Law, in a simulated and standardized way with limited time. In addition, content knowledge, pedagogical content knowledge and pedagogical knowledge has been assessed using standardized instruments. Furthermore, additional information about the internship and the amount of learning opportunities was collected at the end of the internship. During the internship, both lesson planning skills and all components of professional knowledge increased. Cross-Lagged-Panel-Analyses reveal that in particular pre-service teachers' pedagogical content knowledge as well as pedagogical knowledge at the beginning of the internship influences the development of lesson planning skills.}, language = {de} } @article{SharmaBekirLomadzeetal.2022, author = {Sharma, Anjali and Bekir, Marek and Lomadze, Nino and Jung, Se-Hyeong and Pich, Andrij and Santer, Svetlana}, title = {Generation of local diffusioosmotic flow by light responsive microgels}, series = {Langmuir}, volume = {38}, journal = {Langmuir}, number = {20}, publisher = {American Chemical Society}, address = {Washington}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.2c00259}, pages = {6343 -- 6351}, year = {2022}, abstract = {Here we show that microgels trapped at a solid wall can issue liquid flow and transport over distances several times larger than the particle size. The microgel consists of cross-linked poly(N-isopropylacrylamide-co-acrylic acid) (PNIPAM-AA) polymer chains loaded with cationic azobenzene-containing surfactant, which can assume either a trans-or a cis-state depending on the wavelength of the applied irradiation. The microgel, being a selective absorber of trans-isomers, responds by changing its volume under irradiation with light of appropriate wavelength at which the cis-isomers of the surfactant molecules diffuse out of the particle interior. Together with the change in particle size, the expelled cis-isomers form an excess of the concentration and subsequent gradient in osmotic pressure generating a halo of local light-driven diffusioosmotic (l-LDDO) flow. The direction and the strength of the l-LDDO depends on the intensity and irradiation wavelength, as well as on the amount of surfactant absorbed by the microgel. The flow pattern around a microgel is directed radially outward and can be maintained quasi-indefinitely under exposure to blue light when the trans-/cis-ratio is 2/1, establishing a photostationary state. Irradiation with UV light, on the other hand, generates a radially transient flow pattern, which inverts from inward to outward over time at low intensities. By measuring the displacement of tracer particles around neutral microgels during a temperature-induced collapse, we can exclude that a change in particle shape itself causes the flow, i.e., just by expulsion or uptake of water. Ultimately, it is its ability to selectively absorb two isomers of photosensitive surfactant under different irradiation conditions that leads to an effective pumping caused by a self-induced diffusioosmotic flow.}, language = {en} } @article{PoudelTichyBruegmannetal.2020, author = {Poudel, Amit and Tichy, Wolfgang and Br{\"u}gmann, Bernd and Dietrich, Tim}, title = {Increasing the accuracy of binary neutron star simulations with an improved vacuum treatment}, series = {Physical review : D, Particles, fields, gravitation, and cosmology}, volume = {102}, journal = {Physical review : D, Particles, fields, gravitation, and cosmology}, number = {10}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0010}, doi = {10.1103/PhysRevD.102.104014}, pages = {16}, year = {2020}, abstract = {Numerical-relativity simulations are essential for studying the last stages of the binary neutron star coalescence. Unfortunately, for stable simulations there is the need to add an artificial low-density atmosphere. Here we discuss a new framework in which we can effectively set the density surrounding the neutron stars to zero to ensure a more accurate simulation. We test our method with a number of single star test cases and for an equal-mass binary neutron star simulation. While the bulk motion of the system is not influenced, and hence there is no improvement with respect to the emitted gravitational-wave signal, we find that the new approach is superior with respect to mass conservation and it allows a much better tracking of outward moving material. This will allow a more accurate simulation of the ejected material and supports the interpretation of present and future multimessenger observations with more accurate numerical-relativity simulations.}, language = {en} } @article{SamajdarDietrich2020, author = {Samajdar, Anuradha and Dietrich, Tim}, title = {Constructing Love-Q relations with gravitational wave detections}, series = {Physical review : D, Particles, fields, gravitation, and cosmology}, volume = {101}, journal = {Physical review : D, Particles, fields, gravitation, and cosmology}, number = {12}, publisher = {American Physical Society}, address = {College Park}, issn = {1550-7998}, doi = {10.1103/PhysRevD.101.124014}, pages = {6}, year = {2020}, abstract = {Quasiuniversal relations between the tidal deformability and the quadrupole moment of neutron stars are predicted by theoretical computations, but have not been measured experimentally. We simulate 120 binary neutron star sources and find that Advanced LIGO and Advanced Virgo at design sensitivity could find possible deviations from predicted relations if the neutron stars are highly spinning. A network of envisaged third generation detectors will even allow extracting such relations, providing new tests of general relativity and nuclear physics predictions.}, language = {en} } @article{MishurovaStegemannLyamkinetal.2022, author = {Mishurova, Tatiana and Stegemann, Robert and Lyamkin, Viktor and Cabeza, Sandra and Evsevleev, Sergei and Pelkner, Matthias and Bruno, Giovanni}, title = {Subsurface and bulk residual stress analysis of S235JRC+C Steel TIG weld by diffraction and magnetic stray field measurements}, series = {Experimental mechanics : an international journal of the Society for Experimental Mechanics}, volume = {62}, journal = {Experimental mechanics : an international journal of the Society for Experimental Mechanics}, number = {6}, publisher = {Springer}, address = {New York}, issn = {0014-4851}, doi = {10.1007/s11340-022-00841-x}, pages = {1017 -- 1025}, year = {2022}, abstract = {Background Due to physical coupling between mechanical stress and magnetization in ferromagnetic materials, it is assumed in the literature that the distribution of the magnetic stray field corresponds to the internal (residual) stress of the specimen. The correlation is, however, not trivial, since the magnetic stray field is also influenced by the microstructure and the geometry of component. The understanding of the correlation between residual stress and magnetic stray field could help to evaluate the integrity of welded components. Objective This study aims at understanding the possible correlation of subsurface and bulk residual stress with magnetic stray field in a low carbon steel weld. Methods The residual stress was determined by synchrotron X-ray diffraction (SXRD, subsurface region) and by neutron diffraction (ND, bulk region). SXRD possesses a higher spatial resolution than ND. Magnetic stray fields were mapped by utilizing high-spatial-resolution giant magneto resistance (GMR) sensors. Results The subsurface residual stress overall correlates better with the magnetic stray field distribution than the bulk stress. This correlation is especially visible in the regions outside the heat affected zone, where the influence of the microstructural features is less pronounced but steep residual stress gradients are present. Conclusions It was demonstrated that the localized stray field sources without any obvious microstructural variations are associated with steep stress gradients. The good correlation between subsurface residual stress and magnetic signal indicates that the source of the magnetic stray fields is to be found in the range of the penetration depth of the SXRD measurements.}, language = {en} } @article{SteigertKojdaIbacetaJanaetal.2022, author = {Steigert, Alexander and Kojda, Sandrino Danny and Ibaceta-Ja{\~n}a, Josefa Fernanda and Abou-Ras, Daniel and Gunder, Ren{\´e} and Alktash, Nivin and Habicht, Klaus and Wagner, Markus Raphael and Klenk, Reiner and Raoux, Simone and Szyszka, Bernd and Lauermann, Iver and Muydinov, Ruslan}, title = {Water-assisted crystallization of amorphous indium zinc oxide films}, series = {Materials today. Communications}, volume = {31}, journal = {Materials today. Communications}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2352-4928}, doi = {10.1016/j.mtcomm.2022.103213}, pages = {10}, year = {2022}, abstract = {Transparent conductive materials based on indium oxide remain yet irreplaceable in various optoelectronic applications. Amorphous oxides appear especially attractive for technology as they are isotropic, demonstrate relatively high electron mobility and can be processed at low temperatures. Among them is indium zinc oxide (IZO) with a large zinc content that is crucial for keeping the amorphous state but redundant for the doping. In this work we investigated water-free and water containing IZO films obtained by radio frequency sputtering. The correlation between temperature driven changes of the chemical state, the optical and electrical properties as well as the progression of crystallization was in focus. Such characterization methods as: scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, temperature dependent Hall-effect measurements and others were applied. Temperature dependent electrical properties of amorphous IZO and IZO:H2O films were found to evolve similarly. Based on our experience in In2O3:H2O (In2O3:H or IOH) we proposed an explanation for the changes observed. Water admixture was found to decrease crystallization temperature of IZO significantly from similar to 550 degrees C to similar to 280 degrees C. Herewith, the presence and concentration of water and/or hydroxyls was found to determine Zn distribution in the film. In particular, Zn enrichment was detected at the film's surface respective to the high water and/or hydroxyl amount. Raman spectra revealed a two-dimensional crystallization of w-ZnO which precedes regardless water presence an extensive In2O3 crystallization. An abrupt loss of electron mobility as a result of crystallization was attributed to the formation of ZnO interlayer on grain boundaries.}, language = {en} } @article{MejiaMonasterioMetzlerVollmer2020, author = {Mejia-Monasterio, Carlos and Metzler, Ralf and Vollmer, J{\"u}rgen}, title = {Editorial: anomalous transport}, series = {Frontiers in Physics}, volume = {8}, journal = {Frontiers in Physics}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-424X}, doi = {10.3389/fphy.2020.622417}, pages = {4}, year = {2020}, language = {en} } @article{RodriguezZuluagaStolleYamazakietal.2021, author = {Rodr{\´i}guez Zuluaga, Juan and Stolle, Claudia and Yamazaki, Yosuke and Xiong, Chao and England, Scott L.}, title = {A synoptic-scale wavelike structure in the nighttime equatorial ionization anomaly}, series = {Earth and Space Science : ESS}, volume = {8}, journal = {Earth and Space Science : ESS}, number = {2}, publisher = {American Geophysical Union}, address = {Malden, Mass.}, issn = {2333-5084}, doi = {10.1029/2020EA001529}, pages = {10}, year = {2021}, abstract = {Both ground- and satellite-based airglow imaging have significantly contributed to understanding the low-latitude ionosphere, especially the morphology and dynamics of the equatorial ionization anomaly (EIA). The NASA Global-scale Observations of the Limb and Disk (GOLD) mission focuses on far-ultraviolet airglow images from a geostationary orbit at 47.5 degrees W. This region is of particular interest at low magnetic latitudes because of the high magnetic declination (i.e., about -20 degrees) and proximity of the South Atlantic magnetic anomaly. In this study, we characterize an exciting feature of the nighttime EIA using GOLD observations from October 5, 2018 to June 30, 2020. It consists of a wavelike structure of a few thousand kilometers seen as poleward and equatorward displacements of the EIA-crests. Initial analyses show that the synoptic-scale structure is symmetric about the dip equator and appears nearly stationary with time over the night. In quasi-dipole coordinates, maxima poleward displacements of the EIA-crests are seen at about +/- 12 degrees latitude and around 20 and 60 degrees longitude (i.e., in geographic longitude at the dip equator, about 53 degrees W and 14 degrees W). The wavelike structure presents typical zonal wavelengths of about 6.7 x 10(3) km and 3.3 x 10(3) km. The structure's occurrence and wavelength are highly variable on a day-to-day basis with no apparent dependence on geomagnetic activity. In addition, a cluster or quasi-periodic wave train of equatorial plasma depletions (EPDs) is often detected within the synoptic-scale structure. We further outline the difference in observing these EPDs from FUV images and in situ measurements during a GOLD and Swarm mission conjunction.}, language = {en} } @article{PapadakisMuellerBuschbaumLaschewsky2019, author = {Papadakis, Christine M. and M{\"u}ller-Buschbaum, Peter and Laschewsky, Andre}, title = {Switch It Inside-Out: "Schizophrenic" Behavior of All Thermoresponsive UCST-LCST Diblock Copolymers}, series = {Langmuir}, volume = {35}, journal = {Langmuir}, number = {30}, publisher = {American Chemical Society}, address = {Washington}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.9b01444}, pages = {9660 -- 9676}, year = {2019}, abstract = {This feature article reviews our recent advancements on the synthesis, phase behavior, and micellar structures of diblock copolymers consisting of oppositely thermoresponsive blocks in aqueous environments. These copolymers combine a nonionic block, which shows lower critical solution temperature (LCST) behavior, with a zwitterionic block that exhibits an upper critical solution temperature (UCST). The transition temperature of the latter class of polymers is strongly controlled by its molar mass and by the salt concentration, in contrast to the rather invariant transition of nonionic polymers with type II LCST behavior such as poly(N-isopropylacrylamide) or poly(N-isopropyl methacrylamide). This allows for implementing the sequence of the UCST and LCST transitions of the polymers at will by adjusting either molecular or, alternatively, physical parameters. Depending on the location of the transition temperatures of both blocks, different switching scenarios are realized from micelles to inverse micelles, namely via the molecularly dissolved state, the aggregated state, or directly. In addition to studies of (semi)dilute aqueous solutions, highly concentrated systems have also been explored, namely water-swollen thin films. Concerning applications, we discuss the possible use of the diblock copolymers as "smart" nanocarriers.}, language = {en} } @article{NakoudiStachlewskaRitter2021, author = {Nakoudi, Konstantina and Stachlewska, Iwona S. and Ritter, Christoph}, title = {An extended lidar-based cirrus cloud retrieval scheme}, series = {Optics express : the international electronic journal of optics / Optica}, volume = {29}, journal = {Optics express : the international electronic journal of optics / Optica}, number = {6}, publisher = {Optical Society of America}, address = {Washington}, issn = {1094-4087}, doi = {10.1364/OE.414770}, pages = {8553 -- 8580}, year = {2021}, abstract = {Accurate and precise characterization of cirrus cloud geometrical and optical properties is essential for better constraining their radiative footprint. A lidar-based retrieval scheme is proposed here, with its performance assessed on fine spatio-temporal observations over the Arctic site of Ny-Alesund, Svalbard. Two contributions related to cirrus geometrical (dynamic Wavelet Covariance Transform (WCT)) and optical properties (constrained Klett) are reported. The dynamic WCT rendered cirrus detection more robust, especially for thin cirrus layers that frequently remained undetected by the classical WCT method. Regarding optical characterization, we developed an iterative scheme for determining the cirrus lidar ratio (LRci) that is a crucial parameter for aerosol - cloud discrimination. Building upon the Klett-Fernald method, the LRci was constrained by an additional reference value. In established methods, such as the double-ended Klett, an aerosol-free reference value is applied. In the proposed constrained Klett, however, the reference value was approximated from cloud-free or low cloud optical depth (COD up to 0.2) profiles and proved to agree with independent Raman estimates. For optically thin cirrus, the constrained Klett inherent uncertainties reached 50\% (60-74\%) in terms of COD (LRci). However, for opaque cirrus COD (LRci) uncertainties were lower than 10\% (15\%). The detection method discrepancies (dynamic versus static WCT) had a higher impact on the optical properties of low COD layers (up to 90\%) compared to optically thicker ones (less than 10\%). The constrained Klett presented high agreement with two established retrievals. For an exemplary cirrus cloud, the constrained Klett estimated the COD355 (LRci355) at 0.28 +/- 0.17 (29 +/- 4 sr), the double-ended Klett at 0.27 +/- 0.15 (32 +/- 4 sr) and the Raman retrievals at 0.22 +/- 0.12 (26 +/- 11 sr). Our approach to determine the necessary reference value can also be applied in established methods and increase their accuracy. In contrast, the classical aerosol-free assumption led to 44 sr LRci overestimation in optically thin layers and 2-8 sr in thicker ones. The multiple scattering effect was corrected using Eloranta (1998) and accounted for 50-60\% extinction underestimation near the cloud base and 20-30\% within the cirrus layers.}, language = {en} } @article{LepriPikovsky2022, author = {Lepri, Stefano and Pikovsky, Arkady}, title = {Phase-locking dynamics of heterogeneous oscillator arrays}, series = {Chaos, solitons \& fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science}, volume = {155}, journal = {Chaos, solitons \& fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science}, publisher = {Elsevier}, address = {Oxford}, issn = {0960-0779}, doi = {10.1016/j.chaos.2021.111721}, pages = {8}, year = {2022}, abstract = {We consider an array of nearest-neighbor coupled nonlinear autonomous oscillators with quenched ran-dom frequencies and purely conservative coupling. We show that global phase-locked states emerge in finite lattices and study numerically their destruction. Upon change of model parameters, such states are found to become unstable with the generation of localized periodic and chaotic oscillations. For weak nonlinear frequency dispersion, metastability occur akin to the case of almost-conservative systems. We also compare the results with the phase-approximation in which the amplitude dynamics is adiabatically eliminated.}, language = {en} } @article{DudiDietrichRashtietal.2022, author = {Dudi, Reetika and Dietrich, Tim and Rashti, Alireza and Br{\"u}gmann, Bernd and Steinhoff, Jan and Tichy, Wolfgang}, title = {High-accuracy simulations of highly spinning binary neutron star systems}, series = {Physical review : D, Particles, fields, gravitation, and cosmology}, volume = {105}, journal = {Physical review : D, Particles, fields, gravitation, and cosmology}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0010}, doi = {10.1103/PhysRevD.105.064050}, pages = {13}, year = {2022}, abstract = {With an increasing number of expected gravitational-wave detections of binary neutron star mergers, it is essential that gravitational-wave models employed for the analysis of observational data are able to describe generic compact binary systems. This includes systems in which the individual neutron stars are millisecond pulsars for which spin effects become essential. In this work, we perform numerical-relativity simulations of binary neutron stars with aligned and antialigned spins within a range of dimensionless spins of chi similar to [-0.28, 0.58]. The simulations are performed with multiple resolutions, show a clear convergence order and, consequently, can be used to test existing waveform approximants. We find that for very high spins gravitational-wave models that have been employed for the interpretation of GW170817 and GW190425 arc not capable of describing our numerical-relativity dataset. We verify through a full parameter estimation study in which clear biases in the estimate of the tidal deformability and effective spin are present. We hope that in preparation of the next gravitational-wave observing run of the Advanced LIGO and Advanced Virgo detectors our new set of numerical-relativity data can be used to support future developments of new gravitational-wave models.}, language = {en} } @article{NiCaoShpritsetal.2018, author = {Ni, Binbin and Cao, Xing and Shprits, Yuri and Summers, Danny and Gu, Xudong and Fu, Song and Lou, Yuequn}, title = {Hot Plasma Effects on the Cyclotron-Resonant Pitch-Angle Scattering Rates of Radiation Belt Electrons Due to EMIC Waves}, series = {Geophysical research letters}, volume = {45}, journal = {Geophysical research letters}, number = {1}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1002/2017GL076028}, pages = {21 -- 30}, year = {2018}, abstract = {To investigate the hot plasma effects on the cyclotron-resonant interactions between electromagnetic ion cyclotron (EMIC) waves and radiation belt electrons in a realistic magnetospheric environment, calculations of the wave-induced bounce-averaged pitch angle diffusion coefficients are performed using both the cold and hot plasma dispersion relations. The results demonstrate that the hot plasma effects have a pronounced influence on the electron pitch angle scattering rates due to all three EMIC emission bands (H+, He+, and O+) when the hot plasma dispersion relation deviates significantly from the cold plasma approximation. For a given wave spectrum, the modification of the dispersion relation by hot anisotropic protons can strongly increase the minimum resonant energy for electrons interacting with O+ band EMIC waves, while the minimum resonant energies for H+ and He+ bands are not greatly affected. For H+ band EMIC waves, inclusion of hot protons tends to weaken the pitch angle scattering efficiency of >5MeV electrons. The most crucial differences introduced by the hot plasma effects occur for >3MeV electron scattering rates by He+ band EMIC waves. Mainly due to the changes of resonant frequency and wave group velocity when the hot protons are included, the difference in scattering rates can be up to an order of magnitude, showing a strong dependence on both electron energy and equatorial pitch angle. Our study confirms the importance of including hot plasma effects in modeling the scattering of ultra-relativistic radiation belt electrons by EMIC waves.}, language = {en} } @article{BernardiBerdjaDaniGuzmanetal.2021, author = {Bernardi, Rafael L. and Berdja, Amokrane and Dani Guzman, Christian and Torres-Torriti, Miguel and Roth, Martin M.}, title = {Restoration of images with a spatially varying PSF of the T80-S telescope optical model using neural networks}, series = {Monthly notices of the Royal Astronomical Society}, volume = {510}, journal = {Monthly notices of the Royal Astronomical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stab3400}, pages = {4284 -- 4294}, year = {2021}, abstract = {Most image restoration methods in astronomy rely upon probabilistic tools that infer the best solution for a deconvolution problem. They achieve good performances when the point spread function (PSF) is spatially invariant in the image plane. However, this condition is not always satisfied in real optical systems. We propose a new method for the restoration of images affected by static and anisotropic aberrations using Deep Neural Networks that can be directly applied to sky images. The network is trained using simulated sky images corresponding to the T80-S Telescope optical model, a 80-cm survey imager at Cerro Tololo (Chile), which are synthesized using a Zernike polynomial representation of the optical system. Once trained, the network can be used directly on sky images, outputting a corrected version of the image that has a constant and known PSF across its field of view. The method is to be tested on the T80-S Telescope. We present the method and results on synthetic data.}, language = {en} } @article{GuoNiFuetal.2022, author = {Guo, Yingjie and Ni, Binbin and Fu, Song and Wang, Dedong and Shprits, Yuri and Zhelavskaya, Irina and Feng, Minghang and Guo, Deyu}, title = {Identification of controlling geomagnetic and solar wind factors for magnetospheric chorus intensity using feature selection techniques}, series = {Journal of geophysical research : A, Space physics}, volume = {127}, journal = {Journal of geophysical research : A, Space physics}, number = {1}, publisher = {Wiley}, address = {Hoboken, NJ}, issn = {2169-9380}, doi = {10.1029/2021JA029926}, pages = {14}, year = {2022}, abstract = {Using over-5-year EMFISIS wave measurements from Van Allen Probes, we present a detailed survey to identify the controlling factors among the geomagnetic indices and solar wind parameters for the 1-min root mean square amplitudes of lower band chorus (LBC) and upper band chorus (UBC). A set of important features are automatically determined by feature selection techniques, namely, Random Forest and Maximum Relevancy Minimum Redundancy. Our analysis results indicate the AE index with zero-time-delay dominates the intensity evolution of LBC and UBC, consistent with the evidence that chorus waves prefer to occur and amplify during enhanced substorm periods. Regarding solar wind parameters, solar wind speed and IMF B-z are identified as the controlling factors for chorus wave intensity. Using the combination of all these important features, a predictive neural network model of chorus wave intensity is established to reconstruct the temporal variations of chorus wave intensity, for which application of Random Forest produces the overall best performance. Plain Language Summary Whistler mode chorus waves are electromagnetic waves observed in the low-density region near the geomagnetic equator outside the plasmapause. The dynamics of Earth's radiation belts are largely influenced by chorus waves owing to their dual contributions to both radiation belt electron acceleration and loss. In this study, we use feature selection techniques to identify the controlling geomagnetic and solar wind factors for magnetospheric chorus waves. Feature selection techniques implement the processes which can select the features most influential to the output. In this study, the inputs are geomagnetic indices and solar wind parameters and the output is the chorus wave intensity. The results indicate that AE index with zerotime delay dominates the chorus wave intensity. Furthermore, solar wind speed and IMF B-z are identified as the most important solar wind drivers for chorus wave intensity. On basis of the combination of all these important geomagnetic and solar wind controlling factors, we develop a neural network model of chorus wave intensity, and find that the model with the inputs identified using the Random Forest method produces the overall best performance.}, language = {en} } @article{WangShpritsZhelayskayaetal.2019, author = {Wang, Dedong and Shprits, Yuri and Zhelayskaya, Irina S. and Agapitov, Oleksiy and Drozdov, Alexander and Aseev, Nikita}, title = {Analytical chorus wave model derived from van Allen Probe Observations}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {2}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA026183}, pages = {1063 -- 1084}, year = {2019}, abstract = {Chorus waves play an important role in the dynamic evolution of energetic electrons in the Earth's radiation belts and ring current. Using more than 5 years of Van Allen Probe data, we developed a new analytical model for upper-band chorus (UBC; 0.5fce < f < fce) and lower-band chorus (LBC; 0.05fce < f < 0.5fce) waves, where fce is the equatorial electron gyrofrequency. By applying polynomial fits to chorus wave root mean square amplitudes, we developed regression models for LBC and UBC as a function of geomagnetic activity (Kp), L, magnetic latitude (λ), and magnetic local time (MLT). Dependence on Kp is separated from the dependence on λ, L, and MLT as Kp-scaling law to simplify the calculation of diffusion coefficients and inclusion into particle tracing codes. Frequency models for UBC and LBC are also developed, which depends on MLT and magnetic latitude. This empirical model is valid in all MLTs, magnetic latitude up to 20°, Kp ≤ 6, L-shell range from 3.5 to 6 for LBC and from 4 to 6 for UBC. The dependence of root mean square amplitudes on L are different for different bands, which implies different energy sources for different wave bands. This analytical chorus wave model is convenient for inclusion in quasi-linear diffusion calculations of electron scattering rates and particle simulations in the inner magnetosphere, especially for the newly developed four-dimensional codes, which require significantly improved wave parameterizations.}, language = {en} } @article{SmirnovKronbergLatallerieetal.2019, author = {Smirnov, Artem G. and Kronberg, Elena A. and Latallerie, F. and Daly, Patrick W. and Aseev, Nikita and Shprits, Yuri and Kellerman, Adam C. and Kasahara, Satoshi and Turner, Drew L. and Taylor, M. G. G. T.}, title = {Electron Intensity Measurements by the Cluster/RAPID/IES Instrument in Earth's Radiation Belts and Ring Current}, series = {Space Weather: The International Journal of Research and Applications}, volume = {17}, journal = {Space Weather: The International Journal of Research and Applications}, number = {4}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2018SW001989}, pages = {553 -- 566}, year = {2019}, abstract = {Plain Language Summary Radiation belts of the Earth, which are the zones of charged energetic particles trapped by the geomagnetic field, comprise enormous and dynamic systems. While the inner radiation belt, composed mainly of high-energy protons, is relatively stable, the outer belt, filled with energetic electrons, is highly variable and depends substantially on solar activity. Hence, extended reliable observations and the improved models of the electron intensities in the outer belt depending on solar wind parameters are necessary for prediction of their dynamics. The Cluster mission has been measuring electron flux intensities in the radiation belts since its launch in 2000, thus providing a huge dataset that can be used for radiation belts analysis. Using 16 years of electron measurements by the Cluster mission corrected for background contamination, we derived a uniform linear-logarithmic dependence of electron fluxes in the outer belt on the solar wind dynamic pressure.}, language = {en} } @article{DobyndeEffenbergerKartashovetal.2019, author = {Dobynde, M. I. and Effenberger, Frederic and Kartashov, D. A. and Shprits, Yuri and Shurshakov, V. A.}, title = {Ray-tracing simulation of the radiation dose distribution on the surface of the spherical phantom of the MATROSHKA-R experiment onboard the ISS}, series = {Life sciences in space research}, volume = {21}, journal = {Life sciences in space research}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2214-5524}, doi = {10.1016/j.lssr.2019.04.001}, pages = {65 -- 72}, year = {2019}, abstract = {Space radiation is one of the main concerns for human space flights. The prediction of the radiation dose for the actual spacecraft geometry is very important for the planning of long-duration missions. We present a numerical method for the fast calculation of the radiation dose rate during a space flight. We demonstrate its application for dose calculations during the first and the second sessions of the MATROSHKA-R space experiment with a spherical tissue-equivalent phantom. The main advantage of the method is the short simulation time, so it can be applied for urgent radiation dose calculations for low-Earth orbit space missions. The method uses depth-dose curve and shield-and-composition distribution functions to calculate a radiation dose at the point of interest. The spacecraft geometry is processed into a shield-and-composition distribution function using a ray-tracing method. Depth-dose curves are calculated using the GEANT4 Monte-Carlo code (version 10.00.P02) for a double-layer aluminum-water shielding. Aluminum-water shielding is a good approximation of the real geometry, as water is a good equivalent for biological tissues, and aluminum is the major material of spacecraft bodies.}, language = {en} } @article{ZhuChenLiuetal.2019, author = {Zhu, Hui and Chen, Lunjin and Liu, Xu and Shprits, Yuri}, title = {Modulation of locally generated equatorial noise by ULF wave}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {4}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA026199}, pages = {2779 -- 2787}, year = {2019}, abstract = {In this paper we report a rare and fortunate event of fast magnetosonic (MS, also called equatorial noise) waves modulated by compressional ultralow frequency (ULF) waves measured by Van Allen Probes. The characteristics of MS waves, ULF waves, proton distribution, and their potential correlations are analyzed. The results show that ULF waves can modulate the energetic ring proton distribution and in turn modulate the MS generation. Furthermore, the variation of MS intensities is attributed to not only ULF wave activities but also the variation of background parameters, for example, number density. The results confirm the opinion that MS waves are generated by proton ring distribution and propose a new modulation phenomenon.}, language = {en} } @article{ShpritsMeniettiDrozdovetal.2018, author = {Shprits, Yuri and Menietti, J. D. and Drozdov, Alexander and Horne, Richard B. and Woodfield, Emma E. and Groene, J. B. and de Soria-Santacruz, M. and Averkamp, T. F. and Garrett, H. and Paranicas, C. and Gurnett, Don A.}, title = {Strong whistler mode waves observed in the vicinity of Jupiter's moons}, series = {Nature Communications}, volume = {9}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-018-05431-x}, pages = {6}, year = {2018}, abstract = {Understanding of wave environments is critical for the understanding of how particles are accelerated and lost in space. This study shows that in the vicinity of Europa and Ganymede, that respectively have induced and internal magnetic fields, chorus wave power is significantly increased. The observed enhancements are persistent and exceed median values of wave activity by up to 6 orders of magnitude for Ganymede. Produced waves may have a pronounced effect on the acceleration and loss of particles in the Jovian magnetosphere and other astrophysical objects. The generated waves are capable of significantly modifying the energetic particle environment, accelerating particles to very high energies, or producing depletions in phase space density. Observations of Jupiter's magnetosphere provide a unique opportunity to observe how objects with an internal magnetic field can interact with particles trapped in magnetic fields of larger scale objects.}, language = {en} } @article{CervantesVillaShpritsAseevetal.2020, author = {Cervantes Villa, Juan Sebastian and Shprits, Yuri and Aseev, Nikita and Allison, Hayley J.}, title = {Quantifying the effects of EMIC wave scattering and magnetopause shadowing in the outer electron radiation belt by means of data assimilation}, series = {Journal of geophysical research : Space physics}, volume = {125}, journal = {Journal of geophysical research : Space physics}, number = {8}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2020JA028208}, pages = {23}, year = {2020}, abstract = {In this study we investigate two distinct loss mechanisms responsible for the rapid dropouts of radiation belt electrons by assimilating data from Van Allen Probes A and B and Geostationary Operational Environmental Satellites (GOES) 13 and 15 into a 3-D diffusion model. In particular, we examine the respective contribution of electromagnetic ion cyclotron (EMIC) wave scattering and magnetopause shadowing for values of the first adiabatic invariant mu ranging from 300 to 3,000 MeV G(-1). We inspect the innovation vector and perform a statistical analysis to quantitatively assess the effect of both processes as a function of various geomagnetic indices, solar wind parameters, and radial distance from the Earth. Our results are in agreement with previous studies that demonstrated the energy dependence of these two mechanisms. We show that EMIC wave scattering tends to dominate loss at lower L shells, and it may amount to between 10\%/hr and 30\%/hr of the maximum value of phase space density (PSD) over all L shells for fixed first and second adiabatic invariants. On the other hand, magnetopause shadowing is found to deplete electrons across all energies, mostly at higher L shells, resulting in loss from 50\%/hr to 70\%/hr of the maximum PSD. Nevertheless, during times of enhanced geomagnetic activity, both processes can operate beyond such location and encompass the entire outer radiation belt.}, language = {en} } @article{KimShprits2018, author = {Kim, Kyung-Chan and Shprits, Yuri}, title = {Survey of the Favorable Conditions for Magnetosonic Wave Excitation}, series = {Journal of geophysical research : Space physics}, volume = {123}, journal = {Journal of geophysical research : Space physics}, number = {1}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1002/2017JA024865}, pages = {400 -- 413}, year = {2018}, abstract = {The ratio of the proton ring velocity (VR) to the local Alfven speed (VA), in addition to proton ring distributions, plays a key factor in the excitation of magnetosonic waves at frequencies between the proton cyclotron frequency fcp and the lower hybrid resonance frequency fLHR in the Earth's magnetosphere. Here we investigate whether there is a statistically significant relationship between occurrences of proton rings and magnetosonic waves both outside and inside the plasmapause using particle and wave data from Van Allen Probe-A during the time period of October 2012 to December 2015. We also perform a statistical survey of the ratio of the ring energy (ER, corresponding to VR) to the Alfven energy (EA, corresponding to VA) to determine the favorable conditions under which magnetosonic waves in each of two frequency bands (fcp < f ≤ 0.5 fLHR and 0.5 fLHR < f < fLHR) can be excited. The results show that the magnetosonic waves in both frequency bands occur around the postnoon (12-18 magnetic local time, MLT) sector outside the plasmapause when ER is comparable to or lower than EA, and those in lower-frequency bands (fcp < f ≤ 0.5 fLHR) occur around the postnoon sector inside the plasmapause when ER/EA > ~9. However, there is one discrepancy between occurrences of proton rings and magnetosonic waves in low-frequency bands around the prenoon sector (6-12 MLT) outside the plasmapause, which suggests either that the waves may have propagated during active time from the postnoon sector after being excited during quiet time, or they may have locally excited in the prenoon sector during active time.}, language = {en} } @article{ShpritsKellermanAseevetal.2017, author = {Shprits, Yuri and Kellerman, Adam C . and Aseev, Nikita and Drozdov, Alexander and Michaelis, Ingo}, title = {Multi-MeV electron loss in the heart of the radiation belts}, series = {Geophysical research letters}, volume = {44}, journal = {Geophysical research letters}, number = {3}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1002/2016GL072258}, pages = {1204 -- 1209}, year = {2017}, abstract = {Significant progress has been made in recent years in understanding acceleration mechanisms in the Earth's radiation belts. In particular, a number of studies demonstrated the importance of the local acceleration by analyzing the radial profiles of phase space density (PSD) and observing building up peaks in PSD. In this study, we focus on understanding of the local loss using very similar tools. The profiles of PSD for various values of the first adiabatic invariants during the previously studied 17 January 2013 storm are presented and discussed. The profiles of PSD show clear deepening minimums consistent with the scattering by electromagnetic ion cyclotron waves. Long-term evolution shows that local minimums in PSD can persist for relatively long times. During considered interval of time the deepening minimums were observed around L* = 4 during 17 January 2013 storm and around L* = 3.5 during 1 March 2013 storm. This study shows a new method that can help identify the location, magnitude, and time of the local loss and will help quantify local loss in the future. This study also provides additional clear and definitive evidence that local loss plays a major role for the dynamics of the multi-MeV electrons.}, language = {en} } @article{AdolfsHoqueShprits2022, author = {Adolfs, Marjolijn and Hoque, Mohammed Mainul and Shprits, Yuri}, title = {Storm-time relative total electron content modelling using machine learning techniques}, series = {Remote sensing}, volume = {14}, journal = {Remote sensing}, number = {23}, publisher = {MDPI}, address = {Basel}, issn = {2072-4292}, doi = {10.3390/rs14236155}, pages = {17}, year = {2022}, abstract = {Accurately predicting total electron content (TEC) during geomagnetic storms is still a challenging task for ionospheric models. In this work, a neural-network (NN)-based model is proposed which predicts relative TEC with respect to the preceding 27-day median TEC, during storm time for the European region (with longitudes 30 degrees W-50 degrees E and latitudes 32.5 degrees N-70 degrees N). The 27-day median TEC (referred to as median TEC), latitude, longitude, universal time, storm time, solar radio flux index F10.7, global storm index SYM-H and geomagnetic activity index Hp30 are used as inputs and the output of the network is the relative TEC. The relative TEC can be converted to the actual TEC knowing the median TEC. The median TEC is calculated at each grid point over the European region considering data from the last 27 days before the storm using global ionosphere maps (GIMs) from international GNSS service (IGS) sources. A storm event is defined when the storm time disturbance index Dst drops below 50 nanotesla. The model was trained with storm-time relative TEC data from the time period of 1998 until 2019 (2015 is excluded) and contains 365 storms. Unseen storm data from 33 storm events during 2015 and 2020 were used to test the model. The UQRG GIMs were used because of their high temporal resolution (15 min) compared to other products from different analysis centers. The NN-based model predictions show the seasonal behavior of the storms including positive and negative storm phases during winter and summer, respectively, and show a mixture of both phases during equinoxes. The model's performance was also compared with the Neustrelitz TEC model (NTCM) and the NN-based quiet-time TEC model, both developed at the German Aerospace Agency (DLR). The storm model has a root mean squared error (RMSE) of 3.38 TEC units (TECU), which is an improvement by 1.87 TECU compared to the NTCM, where an RMSE of 5.25 TECU was found. This improvement corresponds to a performance increase by 35.6\%. The storm-time model outperforms the quiet-time model by 1.34 TECU, which corresponds to a performance increase by 28.4\% from 4.72 to 3.38 TECU. The quiet-time model was trained with Carrington averaged TEC and, therefore, is ideal to be used as an input instead of the GIM derived 27-day median. We found an improvement by 0.8 TECU which corresponds to a performance increase by 17\% from 4.72 to 3.92 TECU for the storm-time model using the quiet-time-model predicted TEC as an input compared to solely using the quiet-time model.}, language = {en} } @article{SmirnovBerrendorfShpritsetal.2020, author = {Smirnov, Artem and Berrendorf, Max and Shprits, Yuri and Kronberg, Elena A. and Allison, Hayley J. and Aseev, Nikita and Zhelavskaya, Irina and Morley, Steven K. and Reeves, Geoffrey D. and Carver, Matthew R. and Effenberger, Frederic}, title = {Medium energy electron flux in earth's outer radiation belt (MERLIN)}, series = {Space weather : the international journal of research and applications}, volume = {18}, journal = {Space weather : the international journal of research and applications}, number = {11}, publisher = {American geophysical union, AGU}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2020SW002532}, pages = {20}, year = {2020}, abstract = {The radiation belts of the Earth, filled with energetic electrons, comprise complex and dynamic systems that pose a significant threat to satellite operation. While various models of electron flux both for low and relativistic energies have been developed, the behavior of medium energy (120-600 keV) electrons, especially in the MEO region, remains poorly quantified. At these energies, electrons are driven by both convective and diffusive transport, and their prediction usually requires sophisticated 4D modeling codes. In this paper, we present an alternative approach using the Light Gradient Boosting (LightGBM) machine learning algorithm. The Medium Energy electRon fLux In Earth's outer radiatioN belt (MERLIN) model takes as input the satellite position, a combination of geomagnetic indices and solar wind parameters including the time history of velocity, and does not use persistence. MERLIN is trained on >15 years of the GPS electron flux data and tested on more than 1.5 years of measurements. Tenfold cross validation yields that the model predicts the MEO radiation environment well, both in terms of dynamics and amplitudes o f flux. Evaluation on the test set shows high correlation between the predicted and observed electron flux (0.8) and low values of absolute error. The MERLIN model can have wide space weather applications, providing information for the scientific community in the form of radiation belts reconstructions, as well as industry for satellite mission design, nowcast of the MEO environment, and surface charging analysis.}, language = {en} } @article{CervantesVillaShpritsAseevetal.2019, author = {Cervantes Villa, Juan Sebastian and Shprits, Yuri and Aseev, Nikita and Drozdov, Alexander and Castillo Tibocha, Angelica Maria and Stolle, Claudia}, title = {Identifying radiation belt electron source and loss processes by assimilating spacecraft data in a three-dimensional diffusion model}, series = {Journal of geophysical research : Space physics}, volume = {125}, journal = {Journal of geophysical research : Space physics}, number = {1}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2019JA027514}, pages = {16}, year = {2019}, abstract = {Data assimilation aims to blend incomplete and inaccurate data with physics-based dynamical models. In the Earth's radiation belts, it is used to reconstruct electron phase space density, and it has become an increasingly important tool in validating our current understanding of radiation belt dynamics, identifying new physical processes, and predicting the near-Earth hazardous radiation environment. In this study, we perform reanalysis of the sparse measurements from four spacecraft using the three-dimensional Versatile Electron Radiation Belt diffusion model and a split-operator Kalman filter over a 6-month period from 1 October 2012 to 1 April 2013. In comparison to previous works, our 3-D model accounts for more physical processes, namely, mixed pitch angle-energy diffusion, scattering by Electromagnetic Ion Cyclotron waves, and magnetopause shadowing. We describe how data assimilation, by means of the innovation vector, can be used to account for missing physics in the model. We use this method to identify the radial distances from the Earth and the geomagnetic conditions where our model is inconsistent with the measured phase space density for different values of the invariants mu and K. As a result, the Kalman filter adjusts the predictions in order to match the observations, and we interpret this as evidence of where and when additional source or loss processes are active. The current work demonstrates that 3-D data assimilation provides a comprehensive picture of the radiation belt electrons and is a crucial step toward performing reanalysis using measurements from ongoing and future missions.}, language = {en} } @article{SmirnovShpritsAllisonetal.2022, author = {Smirnov, Artem and Shprits, Yuri and Allison, Hayley and Aseev, Nikita and Drozdov, Alexander and Kollmann, Peter and Wang, Dedong and Saikin, Anthony}, title = {An empirical model of the equatorial electron pitch angle distributions in earth's outer radiation belt}, series = {Space Weather: the International Journal of Research and Applications}, volume = {20}, journal = {Space Weather: the International Journal of Research and Applications}, number = {9}, publisher = {American Geophysical Union}, address = {Washington, DC}, issn = {1542-7390}, doi = {10.1029/2022SW003053}, pages = {17}, year = {2022}, abstract = {In this study, we present an empirical model of the equatorial electron pitch angle distributions (PADs) in the outer radiation belt based on the full data set collected by the Magnetic Electron Ion Spectrometer (MagEIS) instrument onboard the Van Allen Probes in 2012-2019. The PADs are fitted with a combination of the first, third and fifth sine harmonics. The resulting equation resolves all PAD types found in the outer radiation belt (pancake, flat-top, butterfly and cap PADs) and can be analytically integrated to derive omnidirectional flux. We introduce a two-step modeling procedure that for the first time ensures a continuous dependence on L, magnetic local time and activity, parametrized by the solar wind dynamic pressure. We propose two methods to reconstruct equatorial electron flux using the model. The first approach requires two uni-directional flux observations and is applicable to low-PA data. The second method can be used to reconstruct the full equatorial PADs from a single uni- or omnidirectional measurement at off-equatorial latitudes. The model can be used for converting the long-term data sets of electron fluxes to phase space density in terms of adiabatic invariants, for physics-based modeling in the form of boundary conditions, and for data assimilation purposes.}, language = {en} } @article{WalkerBoyntonShpritsetal.2022, author = {Walker, Simon N. and Boynton, Richard J. and Shprits, Yuri and Balikhin, Michael A. and Drozdov, Alexander}, title = {Forecast of the energetic electron environment of the radiation belts}, series = {Space Weather: The International Journal of Research and Applications}, volume = {20}, journal = {Space Weather: The International Journal of Research and Applications}, number = {12}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2022SW003124}, pages = {21}, year = {2022}, abstract = {Different modeling methodologies possess different strengths and weakness. For instance, data based models may provide superior accuracy but have a limited spatial coverage while physics based models may provide lower accuracy but provide greater spatial coverage. This study investigates the coupling of a data based model of the electron fluxes at geostationary orbit (GEO) with a numerical model of the radiation belt region to improve the resulting forecasts/pastcasts of electron fluxes over the whole radiation belt region. In particular, two coupling methods are investigated. The first assumes an average value for L* for GEO, namely LGEO* L-GEO* = 6.2. The second uses a value of L* that varies with geomagnetic activity, quantified using the Kp index. As the terrestrial magnetic field responds to variations in geomagnetic activity, the value of L* will vary for a specific location. In this coupling method, the value of L* is calculated using the Kp driven Tsyganenko 89c magnetic field model for field line tracing. It is shown that this addition can result in changes in the initialization of the parameters at the Versatile Electron Radiation Belt model outer boundary. Model outputs are compared to Van Allen Probes MagEIS measurements of the electron fluxes in the inner magnetosphere for the March 2015 geomagnetic storm. It is found that the fixed LGEO* L-GEO* coupling method produces a more realistic forecast.}, language = {en} } @article{ProlSmirnovHoqueetal.2022, author = {Prol, Fabricio S. and Smirnov, Artem G. and Hoque, M. Mainul and Shprits, Yuri}, title = {Combined model of topside ionosphere and plasmasphere derived from radio-occultation and Van Allen Probes data}, series = {Scientific reports}, volume = {12}, journal = {Scientific reports}, number = {1}, publisher = {Macmillan Publishers Limited, part of Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-022-13302-1}, pages = {11}, year = {2022}, abstract = {In the last years, electron density profile functions characterized by a linear dependence on the scale height showed good results when approximating the topside ionosphere. The performance above 800 km, however, is not yet well investigated. This study investigates the capability of the semi-Epstein functions to represent electron density profiles from the peak height up to 20,000 km. Electron density observations recorded by the Van Allen Probes were used to resolve the scale height dependence in the plasmasphere. It was found that the linear dependence of the scale height in the topside ionosphere cannot be directly used to extrapolate profiles above 800 km. We find that the dependence of scale heights on altitude is quadratic in the plasmasphere. A statistical model of the scale heights is therefore proposed. After combining the topside ionosphere and plasmasphere by a unified model, we have obtained good estimations not only in the profile shapes, but also in the Total Electron Content magnitude and distributions when compared to actual measurements from 2013, 2014, 2016 and 2017. Our investigation shows that Van Allen Probes can be merged to radio-occultation data to properly represent the upper ionosphere and plasmasphere by means of a semi-Epstein function.}, language = {en} } @article{HaasShpritsAllisonetal.2022, author = {Haas, Bernhard and Shprits, Yuri and Allison, Hayley and Wutzig, Michael and Wang, Dedong}, title = {Which parameter controls ring current electron dynamics}, series = {Frontiers in astronomy and space sciences}, volume = {9}, journal = {Frontiers in astronomy and space sciences}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {2296-987X}, doi = {10.3389/fspas.2022.911002}, pages = {11}, year = {2022}, abstract = {Predicting the electron population of Earth's ring current during geomagnetic storms still remains a challenging task. In this work, we investigate the sensitivity of 10 keV ring current electrons to different driving processes, parameterised by the Kp index, during several moderate and intense storms. Results are validated against measurements from the Van Allen Probes satellites. Perturbing the Kp index allows us to identify the most dominant processes for moderate and intense storms respectively. We find that during moderate storms (Kp < 6) the drift velocities mostly control the behaviour of low energy electrons, while loss from wave-particle interactions is the most critical parameter for quantifying the evolution of intense storms (Kp > 6). Perturbations of the Kp index used to drive the boundary conditions at GEO and set the plasmapause location only show a minimal effect on simulation results over a limited L range. It is further shown that the flux at L \& SIM; 3 is more sensitive to changes in the Kp index compared to higher L shells, making it a good proxy for validating the source-loss balance of a ring current model.}, language = {en} } @article{KimShprits2019, author = {Kim, Kyung-Chan and Shprits, Yuri}, title = {Statistical Analysis of Hiss Waves in Plasmaspheric Plumes Using Van Allen Probe Observations}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {3}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA026458}, pages = {1904 -- 1915}, year = {2019}, abstract = {Plasmaspheric hiss waves commonly observed in high-density regions in the Earth's magnetosphere are known to be one of the main contributors to the loss of radiation belt electrons. There has been a lot of effort to investigate the distributions of hiss waves in the plasmasphere, while relatively little attention has been given to those in the plasmaspheric plume. In this study, we present for the first time a statistical analysis of the occurrence and the spatial distribution of wave amplitudes and wave normal angles for hiss waves in plumes using Van Allen Probes observations during the period of October 2012 to December 2016. Statistical results show that a wide range of hiss wave amplitudes in plumes from a few picotesla to >100 pT is observed, but a modest (<20 pT) wave amplitude is more commonly observed regardless of geomagnetic activity in both the midnight-to-dawn and dusk sector. By contrast, stronger amplitude hiss occurs preferentially during geomagnetically active times in the dusk sector. The wave normal angles are distributed over a broad range from 0° to 90° with a bimodal distribution: a quasi-field-aligned population (<20°) with an occurrence rate of <60\% and an oblique one (>50°) with a relative low occurrence rate of ≲20\%. Therefore, from a statistical point of view, we confirm that the hiss intensity (a few tens of picotesla) and field-aligned hiss wave adopted in previous simulation studies are a reasonable assumption but stress that the activity dependence of the wave amplitude should be considered.}, language = {en} } @article{ZhuShpritsSpasojevicetal.2019, author = {Zhu, Hui and Shprits, Yuri and Spasojevic, M. and Drozdov, Alexander}, title = {New hiss and chorus waves diffusion coefficient parameterizations from the Van Allen Probes and their effect on long-term relativistic electron radiation-belt VERB simulations}, series = {Journal of Atmospheric and Solar-Terrestrial Physics}, volume = {193}, journal = {Journal of Atmospheric and Solar-Terrestrial Physics}, publisher = {Elsevier}, address = {Oxford}, issn = {1364-6826}, doi = {10.1016/j.jastp.2019.105090}, pages = {13}, year = {2019}, abstract = {New wave frequency and amplitude models for the nightside and dayside chorus waves are built based on measurements from the Electric and Magnetic Field Instrument Suite and Integrated Science (EMFISIS) instrument onboard the Van Allen Probes. The corresponding 3D diffusion coefficients are systematically obtained. Compared with previous commonly-used (typical) parameterizations, the new parameterizations result in differences in diffusion rates that depend on the energy and pitch angle. Furthermore, one-year 3D diffusive simulations are performed using the Versatile Electron Radiation Belt (VERB) code. Both typical and new wave parameterizations simulation results are in a good agreement with observations at 0.9 MeV. However, the new parameterizations for nightside chorus better reproduce the observed electron fluxes. These parameterizations will be incorporated into future modeling efforts.}, language = {en} } @article{DrozdovAseevEffenbergeretal.2019, author = {Drozdov, Alexander and Aseev, Nikita and Effenberger, Frederic and Turner, Drew L. and Saikin, Anthony and Shprits, Yuri}, title = {Storm Time Depletions of Multi-MeV Radiation Belt Electrons Observed at Different Pitch Angles}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {11}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2019JA027332}, pages = {8943 -- 8953}, year = {2019}, abstract = {During geomagnetic storms, the rapid depletion of the high-energy (several MeV) outer radiation belt electrons is the result of loss to the interplanetary medium through the magnetopause, outward radial diffusion, and loss to the atmosphere due to wave-particle interactions. We have performed a statistical study of 110 storms using pitch angle resolved electron flux measurements from the Van Allen Probes mission and found that inside of the radiation belt (L* = 3 - 5) the number of storms that result in depletion of electrons with equatorial pitch angle alpha(eq) = 30 degrees is higher than number of storms that result in depletion of electrons with equatorial pitch angle alpha(eq) = 75 degrees. We conclude that this result is consistent with electron scattering by whistler and electromagnetic ion cyclotron waves. At the outer edge of the radiation belt (L* >= 5.2) the number of storms that result in depletion is also large (similar to 40-50\%), emphasizing the significance of the magnetopause shadowing effect and outward radial transport.}, language = {en} } @article{CastilloShpritsGanushkinaetal.2019, author = {Castillo, Angelica M. and Shprits, Yuri and Ganushkina, Natalia and Drozdov, Alexander and Aseev, Nikita and Wang, Dedong and Dubyagin, Stepan}, title = {Simulations of the inner magnetospheric energetic electrons using the IMPTAM-VERB coupled model}, series = {Journal of Atmospheric and Solar-Terrestrial Physics}, volume = {191}, journal = {Journal of Atmospheric and Solar-Terrestrial Physics}, publisher = {Elsevier}, address = {Oxford}, issn = {1364-6826}, doi = {10.1016/j.jastp.2019.05.014}, pages = {17}, year = {2019}, abstract = {In this study, we present initial results of the coupling between the Inner Magnetospheric Particle Transport and Acceleration Model (IMPTAM) and the Versatile Electron Radiation Belt (VERB-3D) code. IMPTAM traces electrons of 10-100 keV energies from the plasma sheet (L = 9 Re) to inner L-shell regions. The flux evolution modeled by IMPTAM is used at the low energy and outer L* computational boundaries of the VERB code (assuming a dipole approximation) to perform radiation belt simulations of energetic electrons. The model was tested on the March 17th, 2013 storm, for a six-day period. Four different simulations were performed and their results compared to satellites observations from Van Allen probes and GOES. The coupled IMPTAM-VERB model reproduces evolution and storm-time features of electron fluxes throughout the studied storm in agreement with the satellite data (within similar to 0.5 orders of magnitude). Including dynamics of the low energy population at L* = 6.6 increases fluxes closer to the heart of the belt and has a strong impact in the VERB simulations at all energies. However, inclusion of magnetopause losses leads to drastic flux decreases even below L* = 3. The dynamics of low energy electrons (max. 10s of keV) do not affect electron fluxes at energies >= 900 keV. Since the IMPTAM-VERB coupled model is only driven by solar wind parameters and the Dst and Kp indexes, it is suitable as a forecasting tool. In this study, we demonstrate that the estimation of electron dynamics with satellite-data-independent models is possible and very accurate.}, language = {en} } @article{WoodfieldGlauertMeniettietal.2019, author = {Woodfield, Emma E. and Glauert, Saraha A. and Menietti, J. Douglas and Averkamp, Terrance F. and Horne, Richard B. and Shprits, Yuri}, title = {Rapid Electron Acceleration in Low-Density Regions of Saturn's Radiation Belt by Whistler Mode Chorus Waves}, series = {Geophysical research letters}, volume = {46}, journal = {Geophysical research letters}, number = {13}, publisher = {American Geophysical Union}, address = {Washington}, issn = {0094-8276}, doi = {10.1029/2019GL083071}, pages = {7191 -- 7198}, year = {2019}, abstract = {Electron acceleration at Saturn due to whistler mode chorus waves has previously been assumed to be ineffective; new data closer to the planet show it can be very rapid (factor of 104 flux increase at 1 MeV in 10 days compared to factor of 2). A full survey of chorus waves at Saturn is combined with an improved plasma density model to show that where the plasma frequency falls below the gyrofrequency additional strong resonances are observed favoring electron acceleration. This results in strong chorus acceleration between approximately 2.5 R-S and 5.5 R-S outside which adiabatic transport may dominate. Strong pitch angle dependence results in butterfly pitch angle distributions that flatten over a few days at 100s keV, tens of days at MeV energies which may explain observations of butterfly distributions of MeV electrons near L = 3. Including cross terms in the simulations increases the tendency toward butterfly distributions. Plain Language Summary Radiation belts are hazardous regions found around several of the planets in our Solar System. They consist of very hot, electrically charged particles trapped in the magnetic field of the planet. At Saturn the most important way to heat these particles has for many years been thought to involve the particles drifting closer toward the planet. This paper adds to the emerging idea at Saturn that a different way to heat the particles is also possible where the heating is done by waves, in a similar way to what we find at the Earth. We use recent information from the Cassini spacecraft on the number and location of particles and also of the waves strength and location combined with computer simulations to show that a particular wave called chorus is excellent at heating the particles where the surrounding number of cold particles is low.}, language = {en} } @article{DentonOfmanShpritsetal.2019, author = {Denton, Richard E. and Ofman, L. and Shprits, Yuri and Bortnik, J. and Millan, R. M. and Rodger, C. J. and da Silva, C. L. and Rogers, B. N. and Hudson, M. K. and Liu, K. and Min, K. and Glocer, A. and Komar, C.}, title = {Pitch Angle Scattering of Sub-MeV Relativistic Electrons by Electromagnetic Ion Cyclotron Waves}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {7}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9402}, doi = {10.1029/2018JA026384}, pages = {5610 -- 5626}, year = {2019}, abstract = {Electromagnetic ion cyclotron (EMIC) waves have long been considered to be a significant loss mechanism for relativistic electrons. This has most often been attributed to resonant interactions with the highest amplitude waves. But recent observations have suggested that the dominant energy of electrons precipitated to the atmosphere may often be relatively low, less than 1 MeV, whereas the minimum resonant energy of the highest amplitude waves is often greater than 2 MeV. Here we use relativistic electron test particle simulations in the wavefields of a hybrid code simulation of EMIC waves in dipole geometry in order to show that significant pitch angle scattering can occur due to interaction with low-amplitude short-wavelength EMIC waves. In the case we examined, these waves are in the H band (at frequencies above the He+ gyrofrequency), even though the highest amplitude waves were in the He band frequency range (below the He+ gyrofrequency). We also present wave power distributions for 29 EMIC simulations in straight magnetic field line geometry that show that the high wave number portion of the spectrum is in every case mostly due to the H band waves. Though He band waves are often associated with relativistic electron precipitation, it is possible that the He band waves do not directly scatter the sub-megaelectron volts (sub-MeV) electrons, but that the presence of He band waves is associated with high plasma density which lowers the minimum resonant energy so that these electrons can more easily resonate with the H band waves.}, language = {en} } @article{QinHudsonLietal.2019, author = {Qin, Murong and Hudson, Mary and Li, Zhao and Millan, Robyn and Shen, Xiaochen and Shprits, Yuri and Woodger, Leslie and Jaynes, Allison and Kletzing, Craig}, title = {Investigating loss of relativistic electrons associated with EMIC Waves at low L values on 22 June 2015}, series = {Journal of geophysical research : Space physics}, volume = {124}, journal = {Journal of geophysical research : Space physics}, number = {6}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2018JA025726}, pages = {4022 -- 4036}, year = {2019}, abstract = {In this study, rapid loss of relativistic radiation belt electrons at low L* values (2.4-3.2) during a strong geomagnetic storm on 22 June 2015 is investigated along with five possible loss mechanisms. Both the particle and wave data are obtained from the Van Allen Probes. Duskside H+ band electromagnetic ion cyclotron (EMIC) waves were observed during a rapid decrease of relativistic electrons with energy above 5.2 MeV occurring outside the plasma sphere during extreme magnetopause compression. Lower He+ composition and enriched O+ composition are found compared to typical values assumed in other studies of cyclotron resonant scattering of relativistic electrons by EMIC waves. Quantitative analysis demonstrates that even with the existence of He+ band EMIC waves, it is the H+ band EMIC waves that are likely to cause the depletion at small pitch angles and strong gradients in pitch angle distributions of relativistic electrons with energy above 5.2 MeV at low L values for this event. Very low frequency wave activity at other magnetic local time can be favorable for the loss of relativistic electrons at higher pitch angles. An illustrative calculation that combines the nominal pitch angle scattering rate due to whistler mode chorus at high pitch angles with the H+ band EMIC wave loss rate at low pitch angles produces loss on time scale observed at L = 2.4-3.2. At high L values and lower energies, radial loss to the magnetopause is a viable explanation.}, language = {en} } @article{ShpritsVasileZhelayskaya2019, author = {Shprits, Yuri and Vasile, Ruggero and Zhelayskaya, Irina S.}, title = {Nowcasting and Predicting the Kp Index Using Historical Values and Real-Time Observations}, series = {Space Weather: The International Journal of Research and Applications}, volume = {17}, journal = {Space Weather: The International Journal of Research and Applications}, number = {8}, publisher = {American Geophysical Union}, address = {Washington}, issn = {1542-7390}, doi = {10.1029/2018SW002141}, pages = {1219 -- 1229}, year = {2019}, abstract = {Current algorithms for the real-time prediction of the Kp index use a combination of models empirically driven by solar wind measurements at the L1 Lagrange point and historical values of the index. In this study, we explore the limitations of this approach, examining the forecast for short and long lead times using measurements at L1 and Kp time series as input to artificial neural networks. We explore the relative efficiency of the solar wind-based predictions, predictions based on recurrence, and predictions based on persistence. Our modeling results show that for short-term forecasts of approximately half a day, the addition of the historical values of Kp to the measured solar wind values provides a barely noticeable improvement. For a longer-term forecast of more than 2 days, predictions can be made using recurrence only, while solar wind measurements provide very little improvement for a forecast with long horizon times. We also examine predictions for disturbed and quiet geomagnetic activity conditions. Our results show that the paucity of historical measurements of the solar wind for high Kp results in a lower accuracy of predictions during disturbed conditions. Rebalancing of input data can help tailor the predictions for more disturbed conditions.}, language = {en} } @article{PostnovOskinovaTorrejon2017, author = {Postnov, K. and Oskinova, Lidia M. and Torrejon, J. M.}, title = {A propelling neutron star in the enigmatic Be-star gamma Cassiopeia}, series = {Monthly notices of the Royal Astronomical Society}, volume = {465}, journal = {Monthly notices of the Royal Astronomical Society}, number = {1}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnrasl/slw223}, pages = {L119 -- L123}, year = {2017}, abstract = {gamma Cassiopeia (gamma Cas), is known to be a binary system consisting of a Be-type star and a low-mass (M similar to 1M(circle dot)) companion of unknown nature orbiting in the Be-disc plane. Here, we apply the quasi-spherical accretion theory on to a compact magnetized star and show that if the low-mass companion of gamma Cas is a fast spinning neutron star, the key observational signatures of. Cas are remarkably well reproduced. Direct accretion on to this fast rotating neutron star is impeded by the propeller mechanism. In this case, around the neutron star magnetosphere a hot shell is formed which emits thermal X-rays in qualitative and quantitative agreement with observed properties of the X-ray emission from gamma Cas. We suggest that gamma Cas and its analogues constitute a new subclass of Be-type X-ray binaries hosting rapidly rotating neutron stars formed in supernova explosions with small kicks. The subsequent evolutionary stage of gamma Cas and its analogues should be the X Per-type binaries comprising low-luminosity slowly rotating X-ray pulsars. The model explains the enigmatic X-ray emission from gamma Cas, and also establishes evolutionary connections between various types of rotating magnetized neutron stars in Be-binaries.}, language = {en} } @article{PruefertBeitzReichetal.2022, author = {Pr{\"u}fert, Christian and Beitz, Toralf and Reich, Olaf and L{\"o}hmannsr{\"o}ben, Hans-Gerd}, title = {Inline process analysis of copper-bearing aerosols using laser-induced breakdown spectroscopy, laser-induced incandescence and optical imaging}, series = {Spectrochimica acta, Part B, Atomic spectroscopy}, volume = {197}, journal = {Spectrochimica acta, Part B, Atomic spectroscopy}, publisher = {Elsevier}, address = {Amsterdam [u.a.]}, issn = {0584-8547}, doi = {10.1016/j.sab.2022.106527}, pages = {11}, year = {2022}, abstract = {The quantification and identification of aerosols in industry plays a key role in process monitoring and control and lays the foundation for process automation aspired by the industry 4.0 initiative. However, measuring particulate matter's mass and number concentrations in harsh environments poses great analytical constraints. The presented approach comprises a comprehensive set of light-and imaging-based techniques, all contactless, in-line, and real-time. It includes, but is not limited to, stroboscopic imaging, laser-induced breakdown spectroscopy (LIBS) and laser-induced incandescence (LII). Stroboscopic imaging confirmed the particles sphericity and was used to measure the particle number density. A phase-selective LIBS setup with low fluence and 500 Hz repetition rate was used to classify each particle with a single-pulse and in real time. Simultaneously, the created plasma was captured by CCD imaging to determine the detection volume and hit rate of the LIBS setup. Both data sets combined were converted to a particle number density, which was consistent with the particle number density of the stroboscopic measurements. Furthermore, using a photodiode and microphone in parallel to the LIBS setup allowed for the photoacoustic normalization of the spectral line intensity at the laser repetition rate of 500 Hz. This was done as a partial photoacoustic normalization method with the cut-off based on the coefficient of variation (CV), reducing it by 25\%. Aside from that photodiode and microphone were proven to be valuable event counting with the advantage of the less spatially constricted. A second laser setup was used for laser -induced incandescence (LII) making it possible to classify the particles based on their incandescence tendency. Given its larger probing volume, LII could be employed at very low particle number densities. With respect to the current literature, this is the first approach of using LII as an in-line, real-time analytical technique for the compositional classification of metal-bearing aerosols.}, language = {en} } @article{ShenarSablowskiHainichetal.2019, author = {Shenar, Tomer and Sablowski, D. P. and Hainich, Rainer and Todt, Helge Tobias and Moffat, Anthony F. J. and Oskinova, Lidia M. and Ramachandran, Varsha and Sana, Hugues and Sander, Andreas Alexander Christoph and Schnurr, O. and St-Louis, N. and Vanbeveren, D. and Gotberg, Y. and Hamann, Wolf-Rainer}, title = {The Wolf-Rayet binaries of the nitrogen sequence in the Large Magellanic Cloud Spectroscopy, orbital analysis, formation, and evolution}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {627}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/201935684}, pages = {68}, year = {2019}, abstract = {Context. Massive Wolf-Rayet (WR) stars dominate the radiative and mechanical energy budget of galaxies and probe a critical phase in the evolution of massive stars prior to core collapse. It is not known whether core He-burning WR stars (classical WR; cWR) form predominantly through wind stripping (w-WR) or binary stripping (b-WR). Whereas spectroscopy of WR binaries has so-far largely been avoided because of its complexity, our study focuses on the 44 WR binaries and binary candidates of the Large Magellanic Cloud (LMC; metallicity Z approximate to 0.5 Z(circle dot)), which were identified on the basis of radial velocity variations, composite spectra, or high X-ray luminosities. Aims. Relying on a diverse spectroscopic database, we aim to derive the physical and orbital parameters of our targets, confronting evolution models of evolved massive stars at subsolar metallicity and constraining the impact of binary interaction in forming these stars. Methods. Spectroscopy was performed using the Potsdam Wolf-Rayet (PoWR) code and cross-correlation techniques. Disentanglement was performed using the code Spectangular or the shift-and-add algorithm. Evolutionary status was interpreted using the Binary Population and Spectral Synthesis (BPASS) code, exploring binary interaction and chemically homogeneous evolution. Results. Among our sample, 28/44 objects show composite spectra and are analyzed as such. An additional five targets show periodically moving WR primaries but no detected companions (SB1); two (BAT99 99 and 112) are potential WR + compact-object candidates owing to their high X-ray luminosities. We cannot confirm the binary nature of the remaining 11 candidates. About two-thirds of the WN components in binaries are identified as cWR, and one-third as hydrogen-burning WR stars. We establish metallicity-dependent mass-loss recipes, which broadly agree with those recently derived for single WN stars, and in which so-called WN3/O3 stars are clear outliers. We estimate that 45 +/- 30\% of the cWR stars in our sample have interacted with a companion via mass transfer. However, only approximate to 12 +/- 7\% of the cWR stars in our sample naively appear to have formed purely owing to stripping via a companion (12\% b-WR). Assuming that apparently single WR stars truly formed as single stars, this comprises approximate to 4\% of the whole LMC WN population, which is about ten times less than expected. No obvious differences in the properties of single and binary WN stars, whose luminosities extend down to log L approximate to 5.2 [L-circle dot], are apparent. With the exception of a few systems (BAT99 19, 49, and 103), the equatorial rotational velocities of the OB-type companions are moderate (v(eq) less than or similar to 250 km s(-1)) and challenge standard formalisms of angular-momentum accretion. For most objects, chemically homogeneous evolution can be rejected for the secondary, but not for the WR progenitor. Conclusions. No obvious dichotomy in the locations of apparently single and binary WN stars on the Hertzsprung-Russell diagram is apparent. According to commonly used stellar evolution models (BPASS, Geneva), most apparently single WN stars could not have formed as single stars, implying that they were stripped by an undetected companion. Otherwise, it must follow that pre-WR mass-loss/mixing (e.g., during the red supergiant phase) are strongly underestimated in standard stellar evolution models.}, language = {en} } @article{ShenarHainichTodtetal.2018, author = {Shenar, Tomer and Hainich, Rainer and Todt, Helge Tobias and Moffat, Anthony F. J. and Sander, Andreas Alexander Christoph and Oskinova, Lidia M. and Ramachandran, Varsha and Munoz, M. and Pablo, H. and Sana, Hugues and Hamann, Wolf-Rainer}, title = {The shortest-period Wolf-Rayet binary in the small magellanic cloud}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {616}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201833006}, pages = {15}, year = {2018}, abstract = {Context. SMC AB6 is the shortest-period (P = 6.5 d) Wolf-Rayet (WR) binary in the Small Magellanic Cloud. This binary is therefore a key system in the study of binary interaction and formation of WR stars at low metallicity. The WR component in AB6 was previously found to be very luminous (log L = 6.3 [L-circle dot]) compared to its reported orbital mass (approximate to 8 M-circle dot), placing it significantly above the Eddington limit. Aims. Through spectroscopy and orbital analysis of newly acquired optical data taken with the Ultraviolet and Visual Echelle Spectrograph (UVES), we aim to understand the peculiar results reported for this system and explore its evolutionary history. Methods. We measured radial velocities via cross-correlation and performed a spectral analysis using the Potsdam Wolf-Rayet model atmosphere code. The evolution of the system was analyzed using the Binary Population and Spectral Synthesis evolution code. Results. AB6 contains at least four stars. The 6.5 d period WR binary comprises the WR primary (WN3:h, star A) and a rather rapidly rotating (v(eq) = 265 km s(-1)) early O-type companion (O5.5 V, star B). Static N III and N IV emission lines and absorption signatures in He lines suggest the presence of an early-type emission line star (O5.5 I(f), star C). Finally, narrow absorption lines portraying a long-term radial velocity variation show the existence of a fourth star (O7.5 V, star D). Star D appears to form a second 140 d period binary together with a fifth stellar member, which is a B-type dwarf or a black hole. It is not clear that these additional components are bound to the WR binary. We derive a mass ratio of M-O/M-WR = 2.2 +/- 0.1. The WR star is found to be less luminous than previously thought (log L = 5.9 [L-circle dot]) and, adopting M-O = 41 M-circle dot for star B, more massive (M-WR = 18 M-circle dot). Correspondingly, the WR star does not exceed the Eddington limit. We derive the initial masses of M-i,M-WR = 60 M-circle dot and M-i,M-O = 40 M-circle dot and an age of 3.9 Myr for the system. The WR binary likely experienced nonconservative mass transfer in the past supported by the relatively rapid rotation of star B. Conclusions. Our study shows that AB6 is a multiple - probably quintuple - system. This finding resolves the previously reported puzzle of the WR primary exceeding the Eddington limit and suggests that the WR star exchanged mass with its companion in the past.}, language = {en} } @article{ShenarRichardsonSablowskietal.2017, author = {Shenar, Tomer and Richardson, N. D. and Sablowski, Daniel P. and Hainich, Rainer and Sana, H. and Moffat, A. F. J. and Todt, Helge Tobias and Hamann, Wolf-Rainer and Oskinova, Lidia M. and Sander, Andreas Alexander Christoph and Tramper, Frank and Langer, Norbert and Bonanos, Alceste Z. and de Mink, Selma E. and Gr{\"a}fener, G. and Crowther, Paul and Vink, J. S. and Almeida, Leonardo A. and de Koter, A. and Barb{\´a}, Rodolfo and Herrero, A. and Ulaczyk, Krzysztof}, title = {The tarantula massive binary monitoring}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {598}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201629621}, pages = {16}, year = {2017}, abstract = {We present the first SB2 orbital solution and disentanglement of the massive Wolf-Rayet binary R145 (P = 159 d) located in the Large Magellanic Cloud. The primary was claimed to have a stellar mass greater than 300 M-circle dot, making it a candidate for being the most massive star known to date. While the primary is a known late-type, H-rich Wolf-Rayet star (WN6h), the secondary has so far not been unambiguously detected. Using moderate-resolution spectra, we are able to derive accurate radial velocities for both components. By performing simultaneous orbital and polarimetric analyses, we derive the complete set of orbital parameters, including the inclination. The spectra are disentangled and spectroscopically analyzed, and an analysis of the wind-wind collision zone is conducted. The disentangled spectra and our models are consistent with a WN6h type for the primary and suggest that the secondary is an O3.5 If*/WN7 type star. We derive a high eccentricity of e = 0 : 78 and minimum masses of M-1 sin(3) i approximate to M-2 sin(3) i = 13 +/- 2 M-circle dot, with q = M-2/M-1 = 1.01 +/- 0.07. An analysis of emission excess stemming from a wind-wind collision yields an inclination similar to that obtained from polarimetry (i = 39 +/- 6 degrees). Our analysis thus implies M-1 = 53(-20)(+40) and M2 = 54(-20)(+40) M-circle dot, excluding M-1 > 300 M-circle dot. A detailed comparison with evolution tracks calculated for single and binary stars together with the high eccentricity suggests that the components of the system underwent quasi-homogeneous evolution and avoided mass-transfer. This scenario would suggest current masses of approximate to 80 M-circle dot and initial masses of M-i,M-1 approximate to 10(5) and M-i,M-2 approximate to 90 M-circle dot, consistent with the upper limits of our derived orbital masses, and would imply an age of approximate to 2.2 Myr.}, language = {en} } @article{SanderFuerstKretschmaretal.2018, author = {Sander, Andreas Alexander Christoph and F{\"u}rst, F. and Kretschmar, P. and Oskinova, Lidia M. and Todt, Helge Tobias and Hainich, Rainer and Shenar, Tomer and Hamann, Wolf-Rainer}, title = {Coupling hydrodynamics with comoving frame radiative transfer}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {610}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201731575}, pages = {19}, year = {2018}, abstract = {Aims. To gain a realistic picture of the donor star in Vela X-1, we constructed a hydrodynamically consistent atmosphere model describing the wind stratification while properly reproducing the observed donor spectrum. To investigate how X-ray illumination affects the stellar wind, we calculated additional models for different X-ray luminosity regimes. Methods. We used the recently updated version of the Potsdam Wolf-Rayet code to consistently solve the hydrodynamic equation together with the statistical equations and the radiative transfer. Results. The wind flow in Vela X-1 is driven by ions from various elements, with Fe III and S III leading in the outer wind. The model-predicted mass-loss rate is in line with earlier empirical studies. The mass-loss rate is almost unaffected by the presence of the accreting NS in the wind. The terminal wind velocity is confirmed at u(infinity) approximate to 600 km s(-1). On the other hand, the wind velocity in the inner region where the NS is located is only approximate to 100 km s(-1), which is not expected on the basis of a standard beta-velocity law. In models with an enhanced level of X-rays, the velocity field in the outer wind can be altered. If the X-ray flux is too high, the acceleration breaks down because the ionization increases. Conclusions. Accounting for radiation hydrodynamics, our Vela X-1 donor atmosphere model reveals a low wind speed at the NS location, and it provides quantitative information on wind driving in this important HMXB.}, language = {en} } @article{BornJohanssonLeitneretal.2022, author = {Born, Artur and Johansson, Fredrik O. L. and Leitner, Torsten and Bidermane, Ieva and Kuehn, Danilo and Martensson, Nils and F{\"o}hlisch, Alexander}, title = {The degree of electron itinerancy and shell closing in the core-ionized state of transition metals probed by Auger-photoelectron coincidence spectroscopy}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {24}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {32}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/d2cp02477b}, pages = {19218 -- 19222}, year = {2022}, abstract = {Auger-photoelectron coincidence spectroscopy (APECS) has been used to examine the electron correlation and itinerance effects in transition metals Cu, Ni and Co. It is shown that the LVV Auger, in coincidence with 2p photoelectrons, spectra can be represented using atomic multiplet positions if the 3d-shell is localized (atomic-like) and with a self-convoluted valence band for band-like (itinerant) materials as explained using the Cini-Sawatzky model. For transition metals, the 3d band changes from band-like to localized with increasing atomic number, with the possibility of a mixed behavior. Our result shows that the LVV spectra of Cu can be represented by atomic multiplet calculations, those of Co resemble the self-convolution of the valence band and those of Ni are a mixture of both, consistent with the Cini-Sawatzky model.}, language = {en} } @article{KrohEllerSchoetzetal.2022, author = {Kroh, Daniel and Eller, Fabian and Sch{\"o}tz, Konstantin and Wedler, Stefan and Perdig{\´o}n-Toro, Lorena and Freychet, Guillaume and Wei, Qingya and D{\"o}rr, Maximilian and Jones, David and Zou, Yingping and Herzig, Eva M. and Neher, Dieter and K{\"o}hler, Anna}, title = {Identifying the signatures of intermolecular interactions in blends of PM6 with Y6 and N4 using absorption spectroscopy}, series = {Advanced functional materials}, volume = {32}, journal = {Advanced functional materials}, number = {44}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1616-301X}, doi = {10.1002/adfm.202205711}, pages = {14}, year = {2022}, abstract = {In organic solar cells, the resulting device efficiency depends strongly on the local morphology and intermolecular interactions of the blend film. Optical spectroscopy was used to identify the spectral signatures of interacting chromophores in blend films of the donor polymer PM6 with two state-of-the-art nonfullerene acceptors, Y6 and N4, which differ merely in the branching point of the side chain. From temperature-dependent absorption and luminescence spectroscopy in solution, it is inferred that both acceptor materials form two types of aggregates that differ in their interaction energy. Y6 forms an aggregate with a predominant J-type character in solution, while for N4 molecules the interaction is predominantly in a H-like manner in solution and freshly spin-cast film, yet the molecules reorient with respect to each other with time or thermal annealing to adopt a more J-type interaction. The different aggregation behavior of the acceptor materials is also reflected in the blend films and accounts for the different solar cell efficiencies reported with the two blends.}, language = {en} } @article{KniepertPaulkePerdigonToroetal.2019, author = {Kniepert, Juliane and Paulke, Andreas and Perdig{\´o}n-Toro, Lorena and Kurpiers, Jona and Zhang, Huotian and Gao, Feng and Yuan, Jun and Zou, Yingping and Le Corre, Vincent M. and Koster, Lambert Jan Anton and Neher, Dieter}, title = {Reliability of charge carrier recombination data determined with charge extraction methods}, series = {Journal of applied physics}, volume = {126}, journal = {Journal of applied physics}, number = {20}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-8979}, doi = {10.1063/1.5129037}, pages = {15}, year = {2019}, abstract = {Charge extraction methods are popular for measuring the charge carrier density in thin film organic solar cells and to draw conclusions about the order and coefficient of nongeminate charge recombination. However, results from such studies may be falsified by inhomogeneous steady state carrier profiles or surface recombination. Here, we present a detailed drift-diffusion study of two charge extraction methods, bias-assisted charge extraction (BACE) and time-delayed collection field (TDCF). Simulations are performed over a wide range of the relevant parameters. Our simulations reveal that both charge extraction methods provide reliable information about the recombination order and coefficient if the measurements are performed under appropriate conditions. However, results from BACE measurements may be easily affected by surface recombination, in particular for small active layer thicknesses and low illumination densities. TDCF, on the other hand, is more robust against surface recombination due to its transient nature but also because it allows for a homogeneous high carrier density to be inserted into the active layer. Therefore, TDCF is capable to provide meaningful information on the order and coefficient of recombination even if the model conditions are not exactly fulfilled. We demonstrate this for an only 100 nm thick layer of a highly efficient nonfullerene acceptor (NFA) blend, comprising the donor polymer PM6 and the NFA Y6. TDCF measurements were performed as a function of delay time for different laser fluences and bias conditions. The full set of data could be consistently fitted by a strict second order recombination process, with a bias- and fluence-independent bimolecular recombination coefficient k(2) = 1.7 x 10(-17)m(3) s(-1). BACE measurements performed on the very same layer yielded the identical result, despite the very different excitation conditions. This proves that recombination in this blend is mostly through processes in the bulk and that surface recombination is of minor importance despite the small active layer thickness. Published under license by AIP Publishing.}, language = {en} } @article{SchwarzeSchellhammerOrtsteinetal.2019, author = {Schwarze, Martin and Schellhammer, Karl Sebastian and Ortstein, Katrin and Benduhn, Johannes and Gaul, Christopher and Hinderhofer, Alexander and Perdig{\´o}n-Toro, Lorena and Scholz, Reinhard and Kublitski, Jonas and Roland, Steffen and Lau, Matthias and Poelking, Carl and Andrienko, Denis and Cuniberti, Gianaurelio and Schreiber, Frank and Neher, Dieter and Vandewal, Koen and Ortmann, Frank and Leo, Karl}, title = {Impact of molecular quadrupole moments on the energy levels at organic heterojunctions}, series = {Nature Communications}, volume = {10}, journal = {Nature Communications}, publisher = {Nature Publ. Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-019-10435-2}, pages = {9}, year = {2019}, abstract = {The functionality of organic semiconductor devices crucially depends on molecular energies, namely the ionisation energy and the electron affinity. Ionisation energy and electron affinity values of thin films are, however, sensitive to film morphology and composition, making their prediction challenging. In a combined experimental and simulation study on zinc-phthalocyanine and its fluorinated derivatives, we show that changes in ionisation energy as a function of molecular orientation in neat films or mixing ratio in blends are proportional to the molecular quadrupole component along the p-p-stacking direction. We apply these findings to organic solar cells and demonstrate how the electrostatic interactions can be tuned to optimise the energy of the charge-transfer state at the donor-acceptor interface and the dissociation barrier for free charge carrier generation. The confirmation of the correlation between interfacial energies and quadrupole moments for other materials indicates its relevance for small molecules and polymers.}, language = {en} } @article{ColladoFregosoPuglieseWojciketal.2019, author = {Collado-Fregoso, Elisa and Pugliese, Silvina N. and Wojcik, Mariusz and Benduhn, Johannes and Bar-Or, Eyal and Perdig{\´o}n-Toro, Lorena and H{\"o}rmann, Ulrich and Spoltore, Donato and Vandewal, Koen and Hodgkiss, Justin M. and Neher, Dieter}, title = {Energy-gap law for photocurrent generation in fullerene-based organic solar cells}, series = {Journal of the American Chemical Society}, volume = {141}, journal = {Journal of the American Chemical Society}, number = {6}, publisher = {American Chemical Society}, address = {Washington}, issn = {0002-7863}, doi = {10.1021/jacs.8b09820}, pages = {2329 -- 2341}, year = {2019}, abstract = {The involvement of charge-transfer (CT) states in the photogeneration and recombination of charge carriers has been an important focus of study within the organic photovoltaic community. In this work, we investigate the molecular factors determining the mechanism of photocurrent generation in low-donor-content organic solar cells, where the active layer is composed of vacuum-deposited C-60 and small amounts of organic donor molecules. We find a pronounced decline of all photovoltaic parameters with decreasing CT state energy. Using a combination of steady-state photocurrent measurements and time-delayed collection field experiments, we demonstrate that the power conversion efficiency, and more specifically, the fill factor of these devices, is mainly determined by the bias dependence of photocurrent generation. By combining these findings with the results from ultrafast transient absorption spectroscopy, we show that blends with small CT energies perform poorly because of an increased nonradiative CT state decay rate and that this decay obeys an energy-gap law. Our work challenges the common view that a large energy offset at the heterojunction and/or the presence of fullerene clusters guarantee efficient CT dissociation and rather indicates that charge generation benefits from high CT state energies through a slower decay to the ground state.}, language = {en} } @article{StolterfohtCaprioglioWolffetal.2019, author = {Stolterfoht, Martin and Caprioglio, Pietro and Wolff, Christian Michael and Marquez, Jose A. and Nordmann, Joleik and Zhang, Shanshan and Rothhardt, Daniel and H{\"o}rmann, Ulrich and Amir, Yohai and Redinger, Alex and Kegelmann, Lukas and Zu, Fengshuo and Albrecht, Steve and Koch, Norbert and Kirchartz, Thomas and Saliba, Michael and Unold, Thomas and Neher, Dieter}, title = {The impact of energy alignment and interfacial recombination on the internal and external open-circuit voltage of perovskite solar cells}, series = {Energy \& environmental science}, volume = {12}, journal = {Energy \& environmental science}, number = {9}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1754-5692}, doi = {10.1039/c9ee02020a}, pages = {2778 -- 2788}, year = {2019}, abstract = {Charge transport layers (CTLs) are key components of diffusion controlled perovskite solar cells, however, they can induce additional non-radiative recombination pathways which limit the open circuit voltage (V-OC) of the cell. In order to realize the full thermodynamic potential of the perovskite absorber, both the electron and hole transport layer (ETL/HTL) need to be as selective as possible. By measuring the photoluminescence yield of perovskite/CTL heterojunctions, we quantify the non-radiative interfacial recombination currents in pin- and nip-type cells including high efficiency devices (21.4\%). Our study comprises a wide range of commonly used CTLs, including various hole-transporting polymers, spiro-OMeTAD, metal oxides and fullerenes. We find that all studied CTLs limit the V-OC by inducing an additional non-radiative recombination current that is in most cases substantially larger than the loss in the neat perovskite and that the least-selective interface sets the upper limit for the V-OC of the device. Importantly, the V-OC equals the internal quasi-Fermi level splitting (QFLS) in the absorber layer only in high efficiency cells, while in poor performing devices, the V-OC is substantially lower than the QFLS. Using ultraviolet photoelectron spectroscopy and differential charging capacitance experiments we show that this is due to an energy level mis-alignment at the p-interface. The findings are corroborated by rigorous device simulations which outline important considerations to maximize the V-OC. This work highlights that the challenge to suppress non-radiative recombination losses in perovskite cells on their way to the radiative limit lies in proper energy level alignment and in suppression of defect recombination at the interfaces.}, language = {en} } @article{ZhangHosseiniGunderetal.2019, author = {Zhang, Shanshan and Hosseini, Seyed Mehrdad and Gunder, Rene and Petsiuk, Andrei and Caprioglio, Pietro and Wolff, Christian Michael and Shoaee, Safa and Meredith, Paul and Schorr, Susan and Unold, Thomas and Burn, Paul L. and Neher, Dieter and Stolterfoht, Martin}, title = {The Role of Bulk and Interface Recombination in High-Efficiency Low-Dimensional Perovskite Solar Cells}, series = {Advanced materials}, volume = {31}, journal = {Advanced materials}, number = {30}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0935-9648}, doi = {10.1002/adma.201901090}, pages = {11}, year = {2019}, abstract = {2D Ruddlesden-Popper perovskite (RPP) solar cells have excellent environmental stability. However, the power conversion efficiency (PCE) of RPP cells remains inferior to 3D perovskite-based cells. Herein, 2D (CH3(CH2)(3)NH3)(2)(CH3NH3)(n-1)PbnI3n+1 perovskite cells with different numbers of [PbI6](4-) sheets (n = 2-4) are analyzed. Photoluminescence quantum yield (PLQY) measurements show that nonradiative open-circuit voltage (V-OC) losses outweigh radiative losses in materials with n > 2. The n = 3 and n = 4 films exhibit a higher PLQY than the standard 3D methylammonium lead iodide perovskite although this is accompanied by increased interfacial recombination at the top perovskite/C-60 interface. This tradeoff results in a similar PLQY in all devices, including the n = 2 system where the perovskite bulk dominates the recombination properties of the cell. In most cases the quasi-Fermi level splitting matches the device V-OC within 20 meV, which indicates minimal recombination losses at the metal contacts. The results show that poor charge transport rather than exciton dissociation is the primary reason for the reduction in fill factor of the RPP devices. Optimized n = 4 RPP solar cells had PCEs of 13\% with significant potential for further improvements.}, language = {en} } @article{CaprioglioZuWolffetal.2019, author = {Caprioglio, Pietro and Zu, Fengshuo and Wolff, Christian Michael and Prieto, Jose A. Marquez and Stolterfoht, Martin and Becker, Pascal and Koch, Norbert and Unold, Thomas and Rech, Bernd and Albrecht, Steve and Neher, Dieter}, title = {High open circuit voltages in pin-type perovskite solar cells through strontium addition}, series = {Sustainable Energy \& Fuels}, volume = {3}, journal = {Sustainable Energy \& Fuels}, number = {2}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2398-4902}, doi = {10.1039/c8se00509e}, pages = {550 -- 563}, year = {2019}, abstract = {The incorporation of even small amounts of strontium (Sr) into lead-base hybrid quadruple cation perovskite solar cells results in a systematic increase of the open circuit voltage (V-oc) in pin-type perovskite solar cells. We demonstrate via absolute and transient photoluminescence (PL) experiments how the incorporation of Sr significantly reduces the non-radiative recombination losses in the neat perovskite layer. We show that Sr segregates at the perovskite surface, where it induces important changes of morphology and energetics. Notably, the Sr-enriched surface exhibits a wider band gap and a more n-type character, accompanied with significantly stronger surface band bending. As a result, we observe a significant increase of the quasi-Fermi level splitting in the neat perovskite by reduced surface recombination and more importantly, a strong reduction of losses attributed to non-radiative recombination at the interface to the C-60 electron-transporting layer. The resulting solar cells exhibited a V-oc of 1.18 V, which could be further improved to nearly 1.23 V through addition of a thin polymer interlayer, reducing the non-radiative voltage loss to only 110 meV. Our work shows that simply adding a small amount of Sr to the precursor solutions induces a beneficial surface modification in the perovskite, without requiring any post treatment, resulting in high efficiency solar cells with power conversion efficiency (PCE) up to 20.3\%. Our results demonstrate very high V-oc values and efficiencies in Sr-containing quadruple cation perovskite pin-type solar cells and highlight the imperative importance of addressing and minimizing the recombination losses at the interface between perovskite and charge transporting layer.}, language = {en} } @article{LeCorreStolterfohtPerdigonToroetal.2019, author = {Le Corre, Vincent M. and Stolterfoht, Martin and Perdig{\´o}n-Toro, Lorena and Feuerstein, Markus and Wolff, Christian Michael and Gil-Escrig, Lidon and Bolink, Henk J. and Neher, Dieter and Koster, L. Jan Anton}, title = {Charge Transport Layers Limiting the Efficiency of Perovskite Solar Cells: How To Optimize Conductivity, Doping, and Thickness}, series = {ACS Applied Energy Materials}, volume = {2}, journal = {ACS Applied Energy Materials}, number = {9}, publisher = {American Chemical Society}, address = {Washington}, issn = {2574-0962}, doi = {10.1021/acsaem.9b00856}, pages = {6280 -- 6287}, year = {2019}, abstract = {Perovskite solar cells (PSCs) are one of the main research topics of the photovoltaic community; with efficiencies now reaching up to 24\%, PSCs are on the way to catching up with classical inorganic solar cells. However, PSCs have not yet reached their full potential. In fact, their efficiency is still limited by nonradiative recombination, mainly via trap-states and by losses due to the poor transport properties of the commonly used transport layers (TLs). Indeed, state-of-the-art TLs (especially if organic) suffer from rather low mobilities, typically within 10(-5) and 10(-2) cm(-2) V-1 s(-1), when compared to the high mobilities, 1-10 cm(-2) V-1 s(-1), measured for perovskites. This work presents a comprehensive analysis of the effect of the mobility, thickness, and doping density of the transport layers based on combined experimental and modeling results of two sets of devices made of a solution-processed high-performing triple-cation (PCE approximate to 20\%). The results are also cross-checked on vacuum-processed MAPbI(3) devices. From this analysis, general guidelines on how to optimize a TL are introduced and especially a new and simple formula to easily calculate the amount of doping necessary to counterbalance the low mobility of the TLs.}, language = {en} } @article{WuerfelPerdigonToroKurpiersetal.2019, author = {W{\"u}rfel, Uli and Perdig{\´o}n-Toro, Lorena and Kurpiers, Jona and Wolff, Christian Michael and Caprioglio, Pietro and Rech, Jeromy James and Zhu, Jingshuai and Zhan, Xiaowei and You, Wei and Shoaee, Safa and Neher, Dieter and Stolterfoht, Martin}, title = {Recombination between Photogenerated and Electrode-Induced Charges Dominates the Fill Factor Losses in Optimized Organic Solar Cells}, series = {The journal of physical chemistry letters}, volume = {10}, journal = {The journal of physical chemistry letters}, number = {12}, publisher = {American Chemical Society}, address = {Washington}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b01175}, pages = {3473 -- 3480}, year = {2019}, abstract = {Charge extraction in organic solar cells (OSCs) is commonly believed to be limited by bimolecular recombination of photogenerated charges. However, the fill factor of OSCs is usually almost entirely governed by recombination processes that scale with the first order of the light intensity. This linear loss was often interpreted to be a consequence of geminate or trap-assisted recombination. Numerical simulations show that this linear dependence is a direct consequence of the large amount of excess dark charge near the contact. The first-order losses increase with decreasing mobility of minority carriers, and we discuss the impact of several material and device parameters on this loss mechanism. This work highlights that OSCs are especially vulnerable to injected charges as a result of their poor charge transport properties. This implies that dark charges need to be better accounted for when interpreting electro-optical measurements and charge collection based on simple figures of merit.}, language = {en} } @article{ShoaeeArminStolterfohtetal.2019, author = {Shoaee, Safa and Armin, Ardalan and Stolterfoht, Martin and Hosseini, Seyed Mehrdad and Kurpiers, Jona and Neher, Dieter}, title = {Decoding Charge Recombination through Charge Generation in Organic Solar Cells}, series = {Solar RRL}, volume = {3}, journal = {Solar RRL}, number = {11}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2367-198X}, doi = {10.1002/solr.201900184}, pages = {8}, year = {2019}, abstract = {The in-depth understanding of charge carrier photogeneration and recombination mechanisms in organic solar cells is still an ongoing effort. In donor:acceptor (bulk) heterojunction organic solar cells, charge photogeneration and recombination are inter-related via the kinetics of charge transfer states-being singlet or triplet states. Although high-charge-photogeneration quantum yields are achieved in many donor:acceptor systems, only very few systems show significantly reduced bimolecular recombination relative to the rate of free carrier encounters, in low-mobility systems. This is a serious limitation for the industrialization of organic solar cells, in particular when aiming at thick active layers. Herein, a meta-analysis of the device performance of numerous bulk heterojunction organic solar cells is presented for which field-dependent photogeneration, charge carrier mobility, and fill factor are determined. Herein, a "spin-related factor" that is dependent on the ratio of back electron transfer of the triplet charge transfer (CT) states to the decay rate of the singlet CT states is introduced. It is shown that this factor links the recombination reduction factor to charge-generation efficiency. As a consequence, it is only in the systems with very efficient charge generation and very fast CT dissociation that free carrier recombination is strongly suppressed, regardless of the spin-related factor.}, language = {en} } @article{KrueckemeierRauStolterfohtetal.2019, author = {Kr{\"u}ckemeier, Lisa and Rau, Uwe and Stolterfoht, Martin and Kirchartz, Thomas}, title = {How to report record open-circuit voltages in lead-halide perovskite solar cells}, series = {Advanced energy materials}, volume = {10}, journal = {Advanced energy materials}, number = {1}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201902573}, pages = {11}, year = {2019}, abstract = {Open-circuit voltages of lead-halide perovskite solar cells are improving rapidly and are approaching the thermodynamic limit. Since many different perovskite compositions with different bandgap energies are actively being investigated, it is not straightforward to compare the open-circuit voltages between these devices as long as a consistent method of referencing is missing. For the purpose of comparing open-circuit voltages and identifying outstanding values, it is imperative to use a unique, generally accepted way of calculating the thermodynamic limit, which is currently not the case. Here a meta-analysis of methods to determine the bandgap and a radiative limit for open-circuit voltage is presented. The differences between the methods are analyzed and an easily applicable approach based on the solar cell quantum efficiency as a general reference is proposed.}, language = {en} } @article{TockhornSutterCruzBournazouetal.2022, author = {Tockhorn, Philipp and Sutter, Johannes and Cruz Bournazou, Alexandros and Wagner, Philipp and J{\"a}ger, Klaus and Yoo, Danbi and Lang, Felix and Grischek, Max and Li, Bor and Li, Jinzhao and Shargaieva, Oleksandra and Unger, Eva and Al-Ashouri, Amran and K{\"o}hnen, Eike and Stolterfoht, Martin and Neher, Dieter and Schlatmann, Rutger and Rech, Bernd and Stannowski, Bernd and Albrecht, Steve and Becker, Christiane}, title = {Nano-optical designs for high-efficiency monolithic perovskite-silicon tandem solar cells}, series = {Nature nanotechnology}, volume = {17}, journal = {Nature nanotechnology}, number = {11}, publisher = {Nature Publishing Group}, address = {London [u.a.]}, issn = {1748-3387}, doi = {10.1038/s41565-022-01228-8}, pages = {1214 -- 1221}, year = {2022}, abstract = {Designing gentle sinusoidal nanotextures enables the realization of high-efficiency perovskite-silicon solar cells
Perovskite-silicon tandem solar cells offer the possibility of overcoming the power conversion efficiency limit of conventional silicon solar cells. Various textured tandem devices have been presented aiming at improved optical performance, but optimizing film growth on surface-textured wafers remains challenging. Here we present perovskite-silicon tandem solar cells with periodic nanotextures that offer various advantages without compromising the material quality of solution-processed perovskite layers. We show a reduction in reflection losses in comparison to planar tandems, with the new devices being less sensitive to deviations from optimum layer thicknesses. The nanotextures also enable a greatly increased fabrication yield from 50\% to 95\%. Moreover, the open-circuit voltage is improved by 15 mV due to the enhanced optoelectronic properties of the perovskite top cell. Our optically advanced rear reflector with a dielectric buffer layer results in reduced parasitic absorption at near-infrared wavelengths. As a result, we demonstrate a certified power conversion efficiency of 29.80\%.}, language = {en} } @article{PerdigonToroZhangMarkinaetal.2020, author = {Perdig{\´o}n-Toro, Lorena and Zhang, Huotian and Markina, Anastaa si and Yuan, Jun and Hosseini, Seyed Mehrdad and Wolff, Christian Michael and Zuo, Guangzheng and Stolterfoht, Martin and Zou, Yingping and Gao, Feng and Andrienko, Denis and Shoaee, Safa and Neher, Dieter}, title = {Barrierless free charge generation in the high-performance PM6:Y6 bulk heterojunction non-fullerene solar cell}, series = {Advanced materials}, volume = {32}, journal = {Advanced materials}, number = {9}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0935-9648}, doi = {10.1002/adma.201906763}, pages = {9}, year = {2020}, abstract = {Organic solar cells are currently experiencing a second golden age thanks to the development of novel non-fullerene acceptors (NFAs). Surprisingly, some of these blends exhibit high efficiencies despite a low energy offset at the heterojunction. Herein, free charge generation in the high-performance blend of the donor polymer PM6 with the NFA Y6 is thoroughly investigated as a function of internal field, temperature and excitation energy. Results show that photocurrent generation is essentially barrierless with near-unity efficiency, regardless of excitation energy. Efficient charge separation is maintained over a wide temperature range, down to 100 K, despite the small driving force for charge generation. Studies on a blend with a low concentration of the NFA, measurements of the energetic disorder, and theoretical modeling suggest that CT state dissociation is assisted by the electrostatic interfacial field which for Y6 is large enough to compensate the Coulomb dissociation barrier.}, language = {en} } @article{SandbergKurpiersStolterfohtetal.2020, author = {Sandberg, Oskar J. and Kurpiers, Jona and Stolterfoht, Martin and Neher, Dieter and Meredith, Paul and Shoaee, Safa and Armin, Ardalan}, title = {On the question of the need for a built-in potential in Perovskite solar cells}, series = {Advanced materials interfaces}, volume = {7}, journal = {Advanced materials interfaces}, number = {10}, publisher = {Wiley}, address = {Hoboken}, issn = {2196-7350}, doi = {10.1002/admi.202000041}, pages = {8}, year = {2020}, abstract = {Perovskite semiconductors as the active materials in efficient solar cells exhibit free carrier diffusion lengths on the order of microns at low illumination fluxes and many hundreds of nanometers under 1 sun conditions. These lengthscales are significantly larger than typical junction thicknesses, and thus the carrier transport and charge collection should be expected to be diffusion controlled. A consensus along these lines is emerging in the field. However, the question as to whether the built-in potential plays any role is still of matter of some conjecture. This important question using phase-sensitive photocurrent measurements and theoretical device simulations based upon the drift-diffusion framework is addressed. In particular, the role of the built-in electric field and charge-selective transport layers in state-of-the-art p-i-n perovskite solar cells comparing experimental findings and simulation predictions is probed. It is found that while charge collection in the junction does not require a drift field per se, a built-in potential is still needed to avoid the formation of reverse electric fields inside the active layer, and to ensure efficient extraction through the charge transport layers.}, language = {en} }