@article{ŚlęzakMetzlerMagdziarz2018, author = {Ślęzak, Jakub and Metzler, Ralf and Magdziarz, Marcin}, title = {Superstatistical generalised Langevin equation}, series = {New Journal of Physics}, volume = {20}, journal = {New Journal of Physics}, number = {023026}, publisher = {Deutsche Physikalische Gesellschaft / Institute of Physics}, address = {Bad Honnef und London}, issn = {1367-2630}, doi = {10.1088/1367-2630/aaa3d4}, pages = {1 -- 25}, year = {2018}, abstract = {Recent advances in single particle tracking and supercomputing techniques demonstrate the emergence of normal or anomalous, viscoelastic diffusion in conjunction with non-Gaussian distributions in soft, biological, and active matter systems. We here formulate a stochastic model based on a generalised Langevin equation in which non-Gaussian shapes of the probability density function and normal or anomalous diffusion have a common origin, namely a random parametrisation of the stochastic force. We perform a detailed analysis demonstrating how various types of parameter distributions for the memory kernel result in exponential, power law, or power-log law tails of the memory functions. The studied system is also shown to exhibit a further unusual property: the velocity has a Gaussian one point probability density but non-Gaussian joint distributions. This behaviour is reflected in the relaxation from a Gaussian to a non-Gaussian distribution observed for the position variable. We show that our theoretical results are in excellent agreement with stochastic simulations.}, language = {en} } @article{ŚlęzakBurneckiMetzler2019, author = {Ślęzak, Jakub and Burnecki, Krzysztof and Metzler, Ralf}, title = {Random coefficient autoregressive processes describe Brownian yet non-Gaussian diffusion in heterogeneous systems}, series = {New Journal of Physics}, volume = {21}, journal = {New Journal of Physics}, publisher = {Deutsche Physikalische Gesellschaft ; IOP, Institute of Physics}, address = {Bad Honnef und London}, issn = {1367-2630}, doi = {10.1088/1367-2630/ab3366}, pages = {18}, year = {2019}, abstract = {Many studies on biological and soft matter systems report the joint presence of a linear mean-squared displacement and a non-Gaussian probability density exhibiting, for instance, exponential or stretched-Gaussian tails. This phenomenon is ascribed to the heterogeneity of the medium and is captured by random parameter models such as 'superstatistics' or 'diffusing diffusivity'. Independently, scientists working in the area of time series analysis and statistics have studied a class of discrete-time processes with similar properties, namely, random coefficient autoregressive models. In this work we try to reconcile these two approaches and thus provide a bridge between physical stochastic processes and autoregressive models.Westart from the basic Langevin equation of motion with time-varying damping or diffusion coefficients and establish the link to random coefficient autoregressive processes. By exploring that link we gain access to efficient statistical methods which can help to identify data exhibiting Brownian yet non-Gaussian diffusion.}, language = {en} } @article{ZuoShoaeeKemerinketal.2021, author = {Zuo, Guangzheng and Shoaee, Safa and Kemerink, Martijn and Neher, Dieter}, title = {General rules for the impact of energetic disorder and mobility on nongeminate recombination in phase-separated organic solar cells}, series = {Physical review applied}, volume = {16}, journal = {Physical review applied}, number = {3}, publisher = {American Physical Society}, address = {College Park}, issn = {2331-7019}, doi = {10.1103/PhysRevApplied.16.034027}, pages = {19}, year = {2021}, abstract = {State-of-the-art organic solar cells exhibit power conversion efficiencies of 18\% and above. These devices benefit from the suppression of free charge recombination with regard to the Langevin limit of charge encounter in a homogeneous medium. It is recognized that the main cause of suppressed free charge recombination is the reformation and resplitting of charge-transfer (CT) states at the interface between donor and acceptor domains. Here, we use kinetic Monte Carlo simulations to understand the interplay between free charge motion and recombination in an energetically disordered phase-separated donor-acceptor blend. We identify conditions for encounter-dominated and resplitting-dominated recombination. In the former regime, recombination is proportional to mobility for all parameters tested and only slightly reduced with respect to the Langevin limit. In contrast, mobility is not the decisive parameter that determines the nongeminate recombination coefficient, k(2), in the latter case, where k2 is a sole function of the morphology, CT and charge-separated (CS) energetics, and CT-state decay properties. Our simulations also show that free charge encounter in the phase-separated disordered blend is determined by the average mobility of all carriers, while CT reformation and resplitting involves mostly states near the transport energy. Therefore, charge encounter is more affected by increased disorder than the resplitting of the CT state. As a consequence, for a given mobility, larger energetic disorder, in combination with a higher hopping rate, is preferred. These findings have implications for the understanding of suppressed recombination in solar cells with nonfullerene acceptors, which are known to exhibit lower energetic disorder than that of fullerenes.}, language = {en} } @article{ZuWolffRalaiarisoaetal.2019, author = {Zu, Fengshuo and Wolff, Christian Michael and Ralaiarisoa, Maryline and Amsalem, Patrick and Neher, Dieter and Koch, Norbert}, title = {Unraveling the Electronic Properties of Lead Halide Perovskites with Surface Photovoltage in Photoemission Studies}, series = {ACS applied materials \& interfaces}, volume = {11}, journal = {ACS applied materials \& interfaces}, number = {24}, publisher = {American Chemical Society}, address = {Washington}, issn = {1944-8244}, doi = {10.1021/acsami.9b05293}, pages = {21578 -- 21583}, year = {2019}, abstract = {The tremendous success of metal-halide perovskites, especially in the field of photovoltaics, has triggered a substantial number of studies in understanding their optoelectronic properties. However, consensus regarding the electronic properties of these perovskites is lacking due to a huge scatter in the reported key parameters, such as work function (Φ) and valence band maximum (VBM) values. Here, we demonstrate that the surface photovoltage (SPV) is a key phenomenon occurring at the perovskite surfaces that feature a non-negligible density of surface states, which is more the rule than an exception for most materials under study. With ultraviolet photoelectron spectroscopy (UPS) and Kelvin probe, we evidence that even minute UV photon fluxes (500 times lower than that used in typical UPS experiments) are sufficient to induce SPV and shift the perovskite Φ and VBM by several 100 meV compared to dark. By combining UV and visible light, we establish flat band conditions (i.e., compensate the surface-state-induced surface band bending) at the surface of four important perovskites, and find that all are p-type in the bulk, despite a pronounced n-type surface character in the dark. The present findings highlight that SPV effects must be considered in all surface studies to fully understand perovskites' photophysical properties.}, language = {en} } @article{ZuWarbyStolterfohtetal.2021, author = {Zu, Fengshuo and Warby, Jonathan and Stolterfoht, Martin and Li, Jinzhao and Shin, Dongguen and Unger, Eva and Koch, Norbert}, title = {Photoinduced energy-level realignment at interfaces between organic semiconductors and metal-halide perovskites}, series = {Physical review letters}, volume = {127}, journal = {Physical review letters}, number = {24}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.127.246401}, pages = {6}, year = {2021}, abstract = {In contrast to the common conception that the interfacial energy-level alignment is affixed once the interface is formed, we demonstrate that heterojunctions between organic semiconductors and metal-halide perovskites exhibit huge energy-level realignment during photoexcitation. Importantly, the photoinduced level shifts occur in the organic component, including the first molecular layer in direct contact with the perovskite. This is caused by charge-carrier accumulation within the organic semiconductor under illumination and the weak electronic coupling between the junction components.}, language = {en} } @article{ZuSchultzWolffetal.2020, author = {Zu, Fengshuo and Schultz, Thorsten and Wolff, Christian Michael and Shin, Dongguen and Frohloff, Lennart and Neher, Dieter and Amsalem, Patrick and Koch, Norbert}, title = {Position-locking of volatile reaction products by atmosphere and capping layers slows down photodecomposition of methylammonium lead triiodide perovskite}, series = {RSC Advances}, volume = {10}, journal = {RSC Advances}, number = {30}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2046-2069}, doi = {10.1039/d0ra03572f}, pages = {17534 -- 17542}, year = {2020}, abstract = {The remarkable progress of metal halide perovskites in photovoltaics has led to the power conversion efficiency approaching 26\%. However, practical applications of perovskite-based solar cells are challenged by the stability issues, of which the most critical one is photo-induced degradation. Bare CH3NH3PbI3 perovskite films are known to decompose rapidly, with methylammonium and iodine as volatile species and residual solid PbI2 and metallic Pb, under vacuum under white light illumination, on the timescale of minutes. We find, in agreement with previous work, that the degradation is non-uniform and proceeds predominantly from the surface, and that illumination under N-2 and ambient air (relative humidity 20\%) does not induce substantial degradation even after several hours. Yet, in all cases the release of iodine from the perovskite surface is directly identified by X-ray photoelectron spectroscopy. This goes in hand with a loss of organic cations and the formation of metallic Pb. When CH3NH3PbI3 films are covered with a few nm thick organic capping layer, either charge selective or non-selective, the rapid photodecomposition process under ultrahigh vacuum is reduced by more than one order of magnitude, and becomes similar in timescale to that under N-2 or air. We conclude that the light-induced decomposition reaction of CH3NH3PbI3, leading to volatile methylammonium and iodine, is largely reversible as long as these products are restrained from leaving the surface. This is readily achieved by ambient atmospheric pressure, as well as a thin organic capping layer even under ultrahigh vacuum. In addition to explaining the impact of gas pressure on the stability of this perovskite, our results indicate that covalently "locking" the position of perovskite components at the surface or an interface should enhance the overall photostability.}, language = {en} } @article{ZouThielRomanoetal.2006, author = {Zou, Yong and Thiel, M. and Romano, Maria Carmen and Kurths, J{\"u}rgen and Bi, Q.}, title = {Shrimp structure and associated dynamics in parametrically excited oscillators}, series = {International journal of bifurcation and chaos : in applied sciences and engineering}, volume = {16}, journal = {International journal of bifurcation and chaos : in applied sciences and engineering}, number = {12}, publisher = {World Scientific Publ. Co}, address = {Singapore}, issn = {0218-1274}, doi = {10.1142/S0218127406016987}, pages = {3567 -- 3579}, year = {2006}, abstract = {We investigate the bifurcation structures in a two-dimensional parameter space (PS) of a parametrically excited system with two degrees of freedom both analytically and numerically. By means of the Renyi entropy of second order K-2, which is estimated from recurrence plots, we uncover that regions of chaotic behavior are intermingled with many complex periodic windows, such as shrimp structures in the PS. A detailed numerical analysis shows that, the stable solutions lose stability either via period doubling, or via intermittency when the parameters leave these shrimps in different directions, indicating different bifurcation properties of the boundaries. The shrimps of different sizes offer promising ways to control the dynamics of such a complex system.}, language = {en} } @article{ZhuShpritsSpasojevicetal.2019, author = {Zhu, Hui and Shprits, Yuri Y. 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{ZhouZemanovaZamoraetal.2006, author = {Zhou, Changsong and Zemanova, Lucia and Zamora, Gorka and Hilgetag, Claus C. and Kurths, J{\"u}rgen}, title = {Hierarchical organization unveiled by functional connectivity in complex brain networks}, series = {Physical review letters}, volume = {97}, journal = {Physical review letters}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.97.238103}, pages = {4}, year = {2006}, abstract = {How do diverse dynamical patterns arise from the topology of complex networks? We study synchronization dynamics in the cortical brain network of the cat, which displays a hierarchically clustered organization, by modeling each node (cortical area) with a subnetwork of interacting excitable neurons. We find that in the biologically plausible regime the dynamics exhibits a hierarchical modular organization, in particular, revealing functional clusters coinciding with the anatomical communities at different scales. Our results provide insights into the relationship between network topology and functional organization of complex brain networks.}, language = {en} } @article{ZhongCausaMooreetal.2020, author = {Zhong, Yufei and Causa, Martina and Moore, Gareth John and Krauspe, Philipp and Xiao, Bo and G{\"u}nther, Florian and Kublitski, Jonas and BarOr, Eyal and Zhou, Erjun and Banerji, Natalie}, title = {Sub-picosecond charge-transfer at near-zero driving force in polymer:non-fullerene acceptor blends and bilayers}, series = {Nature Communications}, volume = {11}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group UK}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-020-14549-w}, pages = {1 -- 10}, year = {2020}, abstract = {Organic photovoltaics based on non-fullerene acceptors (NFAs) show record efficiency of 16 to 17\% and increased photovoltage owing to the low driving force for interfacial charge-transfer. However, the low driving force potentially slows down charge generation, leading to a tradeoff between voltage and current. Here, we disentangle the intrinsic charge-transfer rates from morphology-dependent exciton diffusion for a series of polymer:NFA systems. Moreover, we establish the influence of the interfacial energetics on the electron and hole transfer rates separately. We demonstrate that charge-transfer timescales remain at a few hundred femtoseconds even at near-zero driving force, which is consistent with the rates predicted by Marcus theory in the normal region, at moderate electronic coupling and at low re-organization energy. Thus, in the design of highly efficient devices, the energy offset at the donor:acceptor interface can be minimized without jeopardizing the charge-transfer rate and without concerns about a current-voltage tradeoff.}, language = {en} } @article{ZhengToenjesPikovskij2021, author = {Zheng, Chunming and Toenjes, Ralf and Pikovskij, Arkadij}, title = {Transition to synchrony in a three-dimensional swarming model with helical trajectories}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {104}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {1}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.104.014216}, pages = {7}, year = {2021}, abstract = {We investigate the transition from incoherence to global collective motion in a three-dimensional swarming model of agents with helical trajectories, subject to noise and global coupling. Without noise this model was recently proposed as a generalization of the Kuramoto model and it was found that alignment of the velocities occurs discontinuously for arbitrarily small attractive coupling. Adding noise to the system resolves this singular limit and leads to a continuous transition, either to a directed collective motion or to center-of-mass rotations.}, language = {en} } @article{ZhengPikovskij2019, author = {Zheng, Chunming and Pikovskij, Arkadij}, title = {Stochastic bursting in unidirectionally delay-coupled noisy excitable systems}, series = {Chaos : an interdisciplinary journal of nonlinear science}, volume = {29}, journal = {Chaos : an interdisciplinary journal of nonlinear science}, number = {4}, publisher = {American Institute of Physics}, address = {Melville}, issn = {1054-1500}, doi = {10.1063/1.5093180}, pages = {9}, year = {2019}, abstract = {We show that "stochastic bursting" is observed in a ring of unidirectional delay-coupled noisy excitable systems, thanks to the combinational action of time-delayed coupling and noise. Under the approximation of timescale separation, i.e., when the time delays in each connection are much larger than the characteristic duration of the spikes, the observed rather coherent spike pattern can be described by an idealized coupled point processwith a leader-follower relationship. We derive analytically the statistics of the spikes in each unit, the pairwise correlations between any two units, and the spectrum of the total output from the network. Theory is in good agreement with the simulations with a network of theta-neurons. Published under license by AIP Publishing.}, language = {en} } @article{ZhengPikovskij2018, author = {Zheng, Chunming and Pikovskij, Arkadij}, title = {Delay-induced stochastic bursting in excitable noisy systems}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {98}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {4}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.98.042148}, pages = {8}, year = {2018}, abstract = {We show that a combined action of noise and delayed feedback on an excitable theta-neuron leads to rather coherent stochastic bursting. An idealized point process, valid if the characteristic timescales in the problem are well separated, is used to describe statistical properties such as the power spectral density and the interspike interval distribution. We show how the main parameters of the point process, the spontaneous excitation rate, and the probability to induce a spike during the delay action can be calculated from the solutions of a stationary and a forced Fokker-Planck equation.}, language = {en} } @article{ZhangStolterfohtArminetal.2018, author = {Zhang, Shanshan and Stolterfoht, Martin and Armin, Ardalan and Lin, Qianqian and Zu, Fengshuo and Sobus, Jan and Jin, Hui and Koch, Norbert and Meredith, Paul and Burn, Paul L. and Neher, Dieter}, title = {Interface Engineering of Solution-Processed Hybrid Organohalide Perovskite Solar Cells}, series = {ACS applied materials \& interfaces}, volume = {10}, journal = {ACS applied materials \& interfaces}, number = {25}, publisher = {American Chemical Society}, address = {Washington}, issn = {1944-8244}, doi = {10.1021/acsami.8b02503}, pages = {21681 -- 21687}, year = {2018}, abstract = {Engineering the interface between the perovskite absorber and the charge-transporting layers has become an important method for improving the charge extraction and open-circuit voltage (V-OC) of hybrid perovskite solar cells. Conjugated polymers are particularly suited to form the hole-transporting layer, but their hydrophobicity renders it difficult to solution-process the perovskite absorber on top. Herein, oxygen plasma treatment is introduced as a simple means to change the surface energy and work function of hydrophobic polymer interlayers for use as p-contacts in perovskite solar cells. We find that upon oxygen plasma treatment, the hydrophobic surfaces of different prototypical p-type polymers became sufficiently hydrophilic to enable subsequent perovskite junction processing. In addition, the oxygen plasma treatment also increased the ionization potential of the polymer such that it became closer to the valance band energy of the perovskite. It was also found that the oxygen plasma treatment could increase the electrical conductivity of the p-type polymers, facilitating more efficient charge extraction. On the basis of this concept, inverted MAPbI(3) perovskite devices with different oxygen plasma-treated polymers such as P3HT, P3OT, polyTPD, or PTAA were fabricated with power conversion efficiencies of up to 19\%.}, 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{ZhangChenArminetal.2017, author = {Zhang, Kai and Chen, Zhiming and Armin, Ardalan and Dong, Sheng and Xia, Ruoxi and Yip, Hin-Lap and Shoaee, Safa and Huang, Fei and Cao, Yong}, title = {Efficient large area organic solar cells processed by blade-coating with single-component green solvent}, series = {Solar Rrl}, volume = {2}, journal = {Solar Rrl}, number = {1}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {2367-198X}, doi = {10.1002/solr.201700169}, pages = {9}, year = {2017}, abstract = {While the performance of laboratory-scale organic solar cells (OSCs) continues to grow, development of high efficiency large area OSCs remains a big challenge. Although a few attempts to produce large area organic solar cells (OSCs) have been reported, there are still challenges on the way to realizing efficient module devices, such as the low compatibility of the thickness-sensitive active layer with large area coating techniques, the frequent need for toxic solvents and tedious optimization processes used during device fabrication. In this work, highly efficient thickness-insensitive OSCs based on PTB7-Th:PC71BM that processed with single-component green solvent 2-methylanisole are presented, in which both junction thickness limitation and solvent toxicity issues are simultaneously addressed. Careful investigation reveals that this green solvent prevents the evolution of PC71BM into large area clusters resulting in reduced charge carrier recombination, and largely eliminates trapping centers, and thus improves the thickness tolerance of the films. These findings enable us to address the scalability and solvent toxicity issues and to fabricate a 16 cm(2) OSC with doctor-blade coating with a state-of-the-art power conversion efficiency of 7.5\% using green solvent.}, language = {en} } @article{ZhangYanRichter2018, author = {Zhang, Heshou and Yan, Huirong and Richter, Philipp}, title = {The influence of atomic alignment on absorption and emission spectroscopy}, series = {Monthly notices of the Royal Astronomical Society}, volume = {479}, journal = {Monthly notices of the Royal Astronomical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/sty1594}, pages = {3923 -- 3935}, year = {2018}, abstract = {Spectroscopic observations play essential roles in astrophysics. They are crucial for determining physical parameters in our Universe, providing information about the chemistry of various astronomical environments. The proper execution of the spectroscopic analysis requires accounting for all the physical effects that are compatible to the signal-to-noise ratio. We find in this paper the influence on spectroscopy from the atomic/ground state alignment owing to anisotropic radiation and modulated by interstellar magnetic field, has significant impact on the study of interstellar gas. In different observational scenarios, we comprehensively demonstrate how atomic alignment influences the spectral analysis and provide the expressions for correcting the effect. The variations are even more pronounced for multiplets and line ratios. We show the variation of the deduced physical parameters caused by the atomic alignment effect, including alpha-to-iron ratio ([X/Fe]) and ionization fraction. Synthetic observations are performed to illustrate the visibility of such effect with current facilities. A study of Photodissociation regions in rho Ophiuchi cloud is presented to demonstrate how to account for atomic alignment in practice. Our work has shown that due to its potential impact, atomic alignment has to be included in an accurate spectroscopic analysis of the interstellar gas with current observational capability.}, language = {en} } @article{ZhangYan2018, author = {Zhang, Heshou and Yan, Huirong}, title = {Polarization of submillimetre lines from interstellar medium}, series = {Monthly notices of the Royal Astronomical Society}, volume = {475}, journal = {Monthly notices of the Royal Astronomical Society}, number = {2}, publisher = {Oxford University Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stx3164}, pages = {2415 -- 2420}, year = {2018}, abstract = {Magnetic fields play important roles in many astrophysical processes. However, there is no universal diagnostic for the magnetic fields in the interstellar medium (ISM) and each magnetic tracer has its limitation. Any new detection method is thus valuable. Theoretical studies have shown that submillimetre fine-structure lines are polarized due to atomic alignment by ultraviolet photon-excitation, which opens up a new avenue to probe interstellar magnetic fields. We will, for the first time, perform synthetic observations on the simulated three-dimensional ISM to demonstrate the measurability of the polarization of submillimetre atomic lines. The maximum polarization for different absorption and emission lines expected from various sources, including star-forming regions are provided. Our results demonstrate that the polarization of submillimetre atomic lines is a powerful magnetic tracer and add great value to the observational studies of the submilimetre astronomy.}, language = {en} } @article{ZeuschnerWangDebetal.2022, author = {Zeuschner, Steffen Peer and Wang, Xi-Guang and Deb, Marwan and Popova, Elena and Malinowski, Gregory and Hehn, Michel and Keller, Niels and Berakdar, Jamal and Bargheer, Matias}, title = {Standing spin wave excitation in Bi}, series = {Physical review : B, Condensed matter and materials physics}, volume = {106}, journal = {Physical review : B, Condensed matter and materials physics}, number = {13}, publisher = {American Physical Society}, address = {College Park}, issn = {2469-9950}, doi = {10.1103/PhysRevB.106.134401}, pages = {9}, year = {2022}, abstract = {Based on micromagnetic simulations and experimental observations of the magnetization and lattice dynamics after the direct optical excitation of the magnetic insulator Bi : YIG or indirect excitation via an optically opaque Pt/Cu double layer, we disentangle the dynamical effects of magnetic anisotropy and magneto-elastic coupling. The strain and temperature of the lattice are quantified via modeling ultrafast x-ray diffraction data. Measurements of the time-resolved magneto-optical Kerr effect agree well with the magnetization dynamics simulated according to the excitation via two mechanisms: the magneto-elastic coupling to the experimentally verified strain dynamics and the ultrafast temperature-induced transient change in the magnetic anisotropy. The numerical modeling proves that, for direct excitation, both mechanisms drive the fundamental mode with opposite phase. The relative ratio of standing spin wave amplitudes of higher-order modes indicates that both mechanisms are substantially active.}, language = {en} } @article{ZeuschnerMatternPudelletal.2021, author = {Zeuschner, S. P. and Mattern, M. and Pudell, Jan-Etienne and von Reppert, A. and R{\"o}ssle, M. and Leitenberger, Wolfram and Schwarzkopf, J. and Boschker, J. E. and Herzog, Marc and Bargheer, Matias}, title = {Reciprocal space slicing}, series = {Structural Dynamics}, volume = {8}, journal = {Structural Dynamics}, publisher = {AIP Publishing LLC}, address = {Melville, NY}, issn = {2329-7778}, doi = {10.1063/4.0000040}, pages = {11}, year = {2021}, abstract = {An experimental technique that allows faster assessment of out-of-plane strain dynamics of thin film heterostructures via x-ray diffraction is presented. In contrast to conventional high-speed reciprocal space-mapping setups, our approach reduces the measurement time drastically due to a fixed measurement geometry with a position-sensitive detector. This means that neither the incident (ω) nor the exit (2θ) diffraction angle is scanned during the strain assessment via x-ray diffraction. Shifts of diffraction peaks on the fixed x-ray area detector originate from an out-of-plane strain within the sample. Quantitative strain assessment requires the determination of a factor relating the observed shift to the change in the reciprocal lattice vector. The factor depends only on the widths of the peak along certain directions in reciprocal space, the diffraction angle of the studied reflection, and the resolution of the instrumental setup. We provide a full theoretical explanation and exemplify the concept with picosecond strain dynamics of a thin layer of NbO2.}, language = {en} } @article{ZemanovaZhouKurths2006, author = {Zemanova, Lucia and Zhou, Changsong and Kurths, J{\"u}rgen}, title = {Structural and functional clusters of complex brain networks}, series = {Physica, D, Nonlinear phenomena}, volume = {224}, journal = {Physica, D, Nonlinear phenomena}, number = {1-2}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0167-2789}, doi = {10.1016/j.physd.2006.09.008}, pages = {202 -- 212}, year = {2006}, abstract = {Recent research using the complex network approach has revealed a rich and complicated network topology in the cortical connectivity of mammalian brains. It is of importance to understand the implications of such complex network structures in the functional organization of the brain activities. Here we study this problem from the viewpoint of dynamical complex networks. We investigate synchronization dynamics on the corticocortical network of the cat by modeling each node (cortical area) of the network with a sub-network of interacting excitable neurons. We find that the network displays clustered synchronization behavior, and the dynamical clusters coincide with the topological community structures observed in the anatomical network. Our results provide insights into the relationship between the global organization and the functional specialization of the brain cortex.}, language = {en} } @article{ZellmeierBrennerJanietzetal.2018, author = {Zellmeier, M. and Brenner, Thomas J. K. and Janietz, Silvia and Nickel, N. H. and Rappich, J.}, title = {Polythiophenes as emitter layers for crystalline silicon solar cells}, series = {Journal of applied physics}, volume = {123}, journal = {Journal of applied physics}, number = {3}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-8979}, doi = {10.1063/1.5006625}, pages = {5}, year = {2018}, abstract = {We investigated the influence of the emitter (amorphous-Si, a-Si, or polythiophene derivatives: poly(3-hexylthiophene), P3HT, and poly(3-[3,6-dioxaheptyl]-thiophene), P3DOT) and the interface passivation (intrinsic a-Si or SiOX and methyl groups or SiOX) on the c-Si based 1 × 1 cm2 planar hybrid heterojunction solar cell parameters. We observed higher short circuit currents for the P3HT or P3DOT/c-Si solar cells than those obtained for a-Si/c-Si devices, independent of the interface passivation. The obtained VOC of 659 mV for the P3DOT/SiOX/c-Si heterojunction solar cell with hydrophilic 3,6-dioxaheptyl side chains is among the highest reported for c-Si/polythiophene devices. The maximum power conversion efficiency, PCE, was 11\% for the P3DOT/SiOX/c-Si heterojunction solar cell. Additionally, our wafer lifetime measurements reveal a field effect passivation in the wafer induced by the polythiophenes when deposited on c-Si.}, language = {en} } @article{ZeitzLevermannWinkelmann2020, author = {Zeitz, Maria and Levermann, Anders and Winkelmann, Ricarda}, title = {Sensitivity of ice loss to uncertainty in flow law parameters in an idealized one-dimensional geometry}, series = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, volume = {14}, journal = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, number = {10}, publisher = {Copernicus}, address = {G{\"o}ttingen}, issn = {1994-0416}, doi = {10.5194/tc-14-3537-2020}, pages = {3537 -- 3550}, year = {2020}, abstract = {Acceleration of the flow of ice drives mass losses in both the Antarctic and the Greenland Ice Sheet. The projections of possible future sea-level rise rely on numerical ice-sheet models, which solve the physics of ice flow, melt, and calving. While major advancements have been made by the ice-sheet modeling community in addressing several of the related uncertainties, the flow law, which is at the center of most process-based ice-sheet models, is not in the focus of the current scientific debate. However, recent studies show that the flow law parameters are highly uncertain and might be different from the widely accepted standard values. Here, we use an idealized flow-line setup to investigate how these uncertainties in the flow law translate into uncertainties in flow-driven mass loss. In order to disentangle the effect of future warming on the ice flow from other effects, we perform a suite of experiments with the Parallel Ice Sheet Model (PISM), deliberately excluding changes in the surface mass balance. We find that changes in the flow parameters within the observed range can lead up to a doubling of the flow-driven mass loss within the first centuries of warming, compared to standard parameters. The spread of ice loss due to the uncertainty in flow parameters is on the same order of magnitude as the increase in mass loss due to surface warming. While this study focuses on an idealized flow-line geometry, it is likely that this uncertainty carries over to realistic three-dimensional simulations of Greenland and Antarctica.}, language = {en} } @article{ZeiskeSandbergZarrabietal.2022, author = {Zeiske, Stefan and Sandberg, Oskar J. and Zarrabi, Nasim and Wolff, Christian Michael and Raoufi, Meysam and Pe{\~n}a-Camargo, Francisco and Gutierrez-Partida, Emilio and Meredith, Paul and Stolterfoht, Martin and Armin, Ardalan}, title = {Static disorder in lead halide perovskites}, series = {The journal of physical chemistry letters}, volume = {13}, journal = {The journal of physical chemistry letters}, number = {31}, publisher = {American Chemical Society}, address = {Washington}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.2c01652}, pages = {7280 -- 7285}, year = {2022}, abstract = {In crystalline and amorphous semiconductors, the temperature-dependent Urbach energy can be determined from the inverse slope of the logarithm of the absorption spectrum and reflects the static and dynamic energetic disorder. Using recent advances in the sensitivity of photocurrent spectroscopy methods, we elucidate the temperature-dependent Urbach energy in lead halide perovskites containing different numbers of cation components. We find Urbach energies at room temperature to be 13.0 +/- 1.0, 13.2 +/- 1.0, and 13.5 +/- 1.0 meV for single, double, and triple cation perovskite. Static, temperature-independent contributions to the Urbach energy are found to be as low as 5.1 ?+/- 0.5, 4.7 +/- 0.3, and 3.3 +/- 0.9 meV for the same systems. Our results suggest that, at a low temperature, the dominant static disorder in perovskites is derived from zero-point phonon energy rather than structural disorder. This is unusual for solution-processed semiconductors but broadens the potential application of perovskites further to quantum electronics and devices.}, language = {en} } @article{ZeiskeSandbergKurpiersetal.2022, author = {Zeiske, Stefan and Sandberg, Oskar J. and Kurpiers, Jona and Shoaee, Safa and Meredith, Paul and Armin, Ardalan}, title = {Probing charge generation efficiency in thin-film solar cells by integral-mode transient charge extraction}, series = {ACS photonics}, volume = {9}, journal = {ACS photonics}, number = {4}, publisher = {American Chemical Society}, address = {Washington}, issn = {2330-4022}, doi = {10.1021/acsphotonics.1c01532}, pages = {1188 -- 1195}, year = {2022}, abstract = {The photogeneration of free charges in light-harvesting devices is a multistep process, which can be challenging to probe due to the complexity of contributing energetic states and the competitive character of different driving mechanisms. In this contribution, we advance a technique, integral-mode transient charge extraction (ITCE), to probe these processes in thin-film solar cells. ITCE combines capacitance measurements with the integral-mode time-of-flight method in the low intensity regime of sandwich-type thin-film devices and allows for the sensitive determination of photogenerated charge-carrier densities. We verify the theoretical framework of our method by drift-diffusion simulations and demonstrate the applicability of ITCE to organic and perovskite semiconductor-based thin-film solar cells. Furthermore, we examine the field dependence of charge generation efficiency and find our ITCE results to be in excellent agreement with those obtained via time-delayed collection field measurements conducted on the same devices.}, language = {en} } @article{ZaragozaCardielGomezGonzalezMayyaetal.2022, author = {Zaragoza-Cardiel, Javier and G{\´o}mez-Gonz{\´a}lez, V{\´i}ctor Mauricio Alfonso and Mayya, Yalia Divakara and Ramos-Larios, Gerardo}, title = {Nebular abundance gradient in the Cartwheel galaxy using MUSE data}, series = {Monthly notices of the Royal Astronomical Society}, volume = {514}, journal = {Monthly notices of the Royal Astronomical Society}, number = {2}, publisher = {Oxford University Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stac1423}, pages = {1689 -- 1705}, year = {2022}, abstract = {We here present the results from a detailed analysis of nebular abundances of commonly observed ions in the collisional ring galaxy Cartwheel using the Very Large Telescope (VLT) Multi-Unit Spectroscopic Explorer (MUSE) data set. The analysis includes 221 H II regions in the star-forming ring, in addition to 40 relatively fainter H a-emitting regions in the spokes, disc, and the inner ring. The ionic abundances of He, N, O, and Fe are obtained using the direct method (DM) for 9, 20, 20, and 17 ring H II regions, respectively, where the S++ temperature-sensitive line is detected. For the rest of the regions, including all the nebulae between the inner and the outer ring, we obtained O abundances using the strong-line method (SLM). The ring regions have a median 12 + log O/H = 8.19 +/- 0.15, log N/O = -1.57 +/- 0.09 and log Fe/O = -2.24 +/- 0.09 using the DM. Within the range of O abundances seen in the Cartwheel, the N/O and Fe/O values decrease proportionately with increasing O, suggesting local enrichment of O without corresponding enrichment of primary N and Fe. The O abundances of the disc H II regions obtained using the SLM show a well-defined radial gradient. The mean O abundance of the ring H II regions is lower by similar to 0.1 dex as compared to the extrapolation of the radial gradient. The observed trends suggest the preservation of the pre-collisional abundance gradient, displacement of most of the processed elements to the ring, as predicted by the recent simulation by Renaud et al., and post-collisional infall of metal-poor gas in the ring.}, language = {en} } @article{ZaldenQuirinSchumacheretal.2019, author = {Zalden, Peter and Quirin, Florian and Schumacher, Mathias and Siegel, Jan and Wei, Shuai and Koc, Azize and Nicoul, Matthieu and Trigo, Mariano and Andreasson, Pererik and Enquist, Henrik and Shu, Michael J. and Pardini, Tommaso and Chollet, Matthieu and Zhu, Diling and Lemke, Henrik and Ronneberger, Ider and Larsson, J{\"o}rgen and Lindenberg, Aaron M. and Fischer, Henry E. and Hau-Riege, Stefan and Reis, David A. and Mazzarello, Riccardo and Wuttig, Matthias and Sokolowski-Tinten, Klaus}, title = {Femtosecond x-ray diffraction reveals a liquid-liquid phase transition in phase-change materials}, series = {Science}, volume = {364}, journal = {Science}, number = {6445}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington, DC}, issn = {0036-8075}, doi = {10.1126/science.aaw1773}, pages = {1062 -- 1067}, year = {2019}, abstract = {In phase-change memory devices, a material is cycled between glassy and crystalline states. The highly temperature-dependent kinetics of its crystallization process enables application in memory technology, but the transition has not been resolved on an atomic scale. Using femtosecond x-ray diffraction and ab initio computer simulations, we determined the time-dependent pair-correlation function of phase-change materials throughout the melt-quenching and crystallization process. We found a liquid-liquid phase transition in the phase-change materials Ag4In3Sb67Te26 and Ge15Sb85 at 660 and 610 kelvin, respectively. The transition is predominantly caused by the onset of Peierls distortions, the amplitude of which correlates with an increase of the apparent activation energy of diffusivity. This reveals a relationship between atomic structure and kinetics, enabling a systematic optimization of the memory-switching kinetics.}, language = {en} } @article{ZaksPikovskij2019, author = {Zaks, Michael A. and Pikovskij, Arkadij}, title = {Synchrony breakdown and noise-induced oscillation death in ensembles of serially connected spin-torque oscillators}, series = {The European physical journal : B, Condensed matter and complex systems}, volume = {92}, journal = {The European physical journal : B, Condensed matter and complex systems}, number = {7}, publisher = {Springer}, address = {New York}, issn = {1434-6028}, doi = {10.1140/epjb/e2019-100152-2}, pages = {12}, year = {2019}, abstract = {We consider collective dynamics in the ensemble of serially connected spin-torque oscillators governed by the Landau-Lifshitz-Gilbert-Slonczewski magnetization equation. Proximity to homoclinicity hampers synchronization of spin-torque oscillators: when the synchronous ensemble experiences the homoclinic bifurcation, the growth rate per oscillation of small deviations from the ensemble mean diverges. Depending on the configuration of the contour, sufficiently strong common noise, exemplified by stochastic oscillations of the current through the circuit, may suppress precession of the magnetic field for all oscillators. We derive the explicit expression for the threshold amplitude of noise, enabling this suppression.}, language = {en} } @article{ZaksPikovskij2017, author = {Zaks, Michael A. and Pikovskij, Arkadij}, title = {Chimeras and complex cluster states in arrays of spin-torque oscillators}, series = {Scientific reports}, volume = {7}, journal = {Scientific reports}, publisher = {Macmillan Publishers Limited}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-017-04918-9}, year = {2017}, abstract = {We consider synchronization properties of arrays of spin-torque nano-oscillators coupled via an RC load. We show that while the fully synchronized state of identical oscillators may be locally stable in some parameter range, this synchrony is not globally attracting. Instead, regimes of different levels of compositional complexity are observed. These include chimera states (a part of the array forms a cluster while other units are desynchronized), clustered chimeras (several clusters plus desynchronized oscillators), cluster state (all oscillators form several clusters), and partial synchronization (no clusters but a nonvanishing mean field). Dynamically, these states are also complex, demonstrating irregular and close to quasiperiodic modulation. Remarkably, when heterogeneity of spin-torque oscillators is taken into account, dynamical complexity even increases: close to the onset of a macroscopic mean field, the dynamics of this field is rather irregular.}, language = {en} } @article{ZaikinKurths2006, author = {Zaikin, Alexey and Kurths, J{\"u}rgen}, title = {Optimal length transportation hypothesis to model proteasome product size distribution}, series = {Journal of biological physics : emphasizing physical principles in biological research ; an international journal for the formulation and application of mathematical models in the biological sciences}, volume = {32}, journal = {Journal of biological physics : emphasizing physical principles in biological research ; an international journal for the formulation and application of mathematical models in the biological sciences}, number = {3-4}, publisher = {Springer}, address = {Dordrecht}, issn = {0092-0606}, doi = {10.1007/s10867-006-9014-z}, pages = {231 -- 243}, year = {2006}, abstract = {This paper discusses translocation features of the 20S proteasome in order to explain typical proteasome length distributions. We assume that the protein transport depends significantly on the fragment length with some optimal length which is transported most efficiently. By means of a simple one-channel model, we show that this hypothesis can explain both the one- and the three-peak length distributions found in experiments. A possible mechanism of such translocation is provided by so-called fluctuation-driven transport.}, language = {en} } @article{ZachariasChenWagner2017, author = {Zacharias, Michael and Chen, Xuhui and Wagner, Stefan}, title = {Attenuation of TeV gamma-rays by the starlight photon field of the host galaxy}, series = {Monthly notices of the Royal Astronomical Society}, volume = {465}, journal = {Monthly notices of the Royal Astronomical Society}, number = {3}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/stw3032}, pages = {3767 -- 3774}, year = {2017}, abstract = {The absorption of TeV gamma-ray photons produced in relativistic jets by surrounding soft photon fields is a long-standing problem of jet physics. In some cases, the most likely emission site close to the central black hole is ruled out because of the high opacity caused by strong optical and infrared photon sources, such as the broad-line region. Mostly neglected for jet modelling is the absorption of gamma-rays in the starlight photon field of the host galaxy. Analysing the absorption for arbitrary locations and observation angles of the gamma-ray emission site within the host galaxy, we find that the distance to the galaxy centre, the observation angle, and the distribution of starlight in the galaxy are crucial for the amount of absorption. We derive the absorption value for a sample of 20 TeV-detected blazars with a redshift z(r) < 0.2. The absorption value of the gamma-ray emission located in the galaxy centre may be as high as 20 per cent, with an average value of 6 per cent. This is important in order to determine the intrinsic blazar parameters. We see no significant trends in our sample between the degree of absorption and host properties, such as starlight emissivity, galactic size, half-light radius, and redshift. While the uncertainty of the spectral properties of the extragalactic background light exceeds the effect of absorption by stellar light from the host galaxy in distant objects, the latter is a dominant effect in nearby sources. It may also be revealed in a differential comparison of sources with similar redshifts.}, 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{YoungUedaGuehretal.2018, author = {Young, Linda and Ueda, Kiyoshi and G{\"u}hr, Markus and Bucksbaum, Philip H. and Simon, Marc and Mukamel, Shaul and Rohringer, Nina and Prince, Kevin C. and Masciovecchio, Claudio and Meyer, Michael and Rudenko, Artem and Rolles, Daniel and Bostedt, Christoph and Fuchs, Matthias and Reis, David A. and Santra, Robin and Kapteyn, Henry and Murnane, Margaret and Ibrahim, Heide and Legare, Francois and Vrakking, Marc and Isinger, Marcus and Kroon, David and Gisselbrecht, Mathieu and W{\"o}rner, Hans Jakob and Leone, Stephen R.}, title = {Roadmap of ultrafast x-ray atomic and molecular physics}, series = {Journal of physics : B, Atomic, molecular and optical physics}, volume = {51}, journal = {Journal of physics : B, Atomic, molecular and optical physics}, number = {3}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0953-4075}, doi = {10.1088/1361-6455/aa9735}, pages = {45}, year = {2018}, abstract = {X-ray free-electron lasers (XFELs) and table-top sources of x-rays based upon high harmonic generation (HHG) have revolutionized the field of ultrafast x-ray atomic and molecular physics, largely due to an explosive growth in capabilities in the past decade. XFELs now provide unprecedented intensity (10(20) W cm(-2)) of x-rays at wavelengths down to similar to 1 Angstrom, and HHG provides unprecedented time resolution (similar to 50 attoseconds) and a correspondingly large coherent bandwidth at longer wavelengths. For context, timescales can be referenced to the Bohr orbital period in hydrogen atom of 150 attoseconds and the hydrogen-molecule vibrational period of 8 femtoseconds; wavelength scales can be referenced to the chemically significant carbon K-edge at a photon energy of similar to 280 eV (44 Angstroms) and the bond length in methane of similar to 1 Angstrom. With these modern x-ray sources one now has the ability to focus on individual atoms, even when embedded in a complex molecule, and view electronic and nuclear motion on their intrinsic scales (attoseconds and Angstroms). These sources have enabled coherent diffractive imaging, where one can image non-crystalline objects in three dimensions on ultrafast timescales, potentially with atomic resolution. The unprecedented intensity available with XFELs has opened new fields of multiphoton and nonlinear x-ray physics where behavior of matter under extreme conditions can be explored. The unprecedented time resolution and pulse synchronization provided by HHG sources has kindled fundamental investigations of time delays in photoionization, charge migration in molecules, and dynamics near conical intersections that are foundational to AMO physics and chemistry. This roadmap coincides with the year when three new XFEL facilities, operating at Angstrom wavelengths, opened for users (European XFEL, Swiss-FEL and PAL-FEL in Korea) almost doubling the present worldwide number of XFELs, and documents the remarkable progress in HHG capabilities since its discovery roughly 30 years ago, showcasing experiments in AMO physics and other applications. Here we capture the perspectives of 17 leading groups and organize the contributions into four categories: ultrafast molecular dynamics, multidimensional x-ray spectroscopies; high-intensity x-ray phenomena; attosecond x-ray science.}, language = {en} } @article{YochelisBetaGov2020, author = {Yochelis, Arik and Beta, Carsten and Gov, Nir S.}, title = {Excitable solitons}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {101}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {2}, publisher = {American Physical Society}, address = {Melville, NY}, issn = {2470-0045}, doi = {10.1103/PhysRevE.101.022213}, pages = {6}, year = {2020}, abstract = {Excitable pulses are among the most widespread dynamical patterns that occur in many different systems, ranging from biological cells to chemical reactions and ecological populations. Traditionally, the mutual annihilation of two colliding pulses is regarded as their prototypical signature. Here we show that colliding excitable pulses may exhibit solitonlike crossover and pulse nucleation if the system obeys a mass conservation constraint. In contrast to previous observations in systems without mass conservation, these alternative collision scenarios are robustly observed over a wide range of parameters. We demonstrate our findings using a model of intracellular actin waves since, on time scales of wave propagations over the cell scale, cells obey conservation of actin monomers. The results provide a key concept to understand the ubiquitous occurrence of actin waves in cells, suggesting why they are so common, and why their dynamics is robust and long-lived.}, language = {en} } @article{YestePrimusAlcantaraetal.2020, author = {Yeste, Maria Pilar and Primus, Philipp-Alexander and Alcantara, Rodrigo and Cauqui, Miguel Angel and Calvino, Juan Jose and Pintado, Jos{\´e} Mar{\´i}a and Blanco, Ginesa}, title = {Surface characterization of two Ce0.62Zr0.38O2 mixed oxides with different reducibility}, series = {Applied surface science : a journal devoted to applied physics and chemistry of surfaces and interfaces}, volume = {503}, journal = {Applied surface science : a journal devoted to applied physics and chemistry of surfaces and interfaces}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2019.144255}, pages = {9}, year = {2020}, abstract = {This paper presents a study of the surface properties of two Ce/Zr mixed oxides with different reducibility, obtained by applying distinct thermal ageing treatments to an oxide with the composition Ce0.62Zr0.38O2. The surface composition was investigated by XPS. Chemical reactivity of the surface was studied by adsorption of the probe molecules CO2, D-2 and methanol. Nanostructural characterization was carried out by XRD, Raman and high-resolution Eu3+ spectroscopy (FLNS). The characterization showed only slight variations in surface composition and bulk Ce-Zr distribution, but hardy differences concerning the type and strength of acidic surface centres, as well as strong differences in the ability to dissociate hydrogen. Structural variations between both samples were identified by comparing the optical spectra of Eu3+ in surface doped samples.}, language = {en} } @article{YeKurthHospodarskyetal.2018, author = {Ye, S. -Y. and Kurth, William S. and Hospodarsky, George B. and Persoon, Ann M. and Gurnett, Don A. and Morooka, Michiko and Wahlund, Jan-Erik and Hsu, Hsiang-Wen and Seiss, Martin and Srama, Ralf}, title = {Cassini RPWS dust observation near the Janus/Epimetheus orbit}, series = {Journal of geophysical research : Space physics}, volume = {123}, journal = {Journal of geophysical research : Space physics}, number = {6}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2017JA025112}, pages = {4952 -- 4960}, year = {2018}, abstract = {During the Ring Grazing orbits near the end of Cassini mission, the spacecraft crossed the equatorial plane near the orbit of Janus/Epimetheus (similar to 2.5 Rs). This region is populated with dust particles that can be detected by the Radio and Plasma Wave Science (RPWS) instrument via an electric field antenna signal. Analysis of the voltage waveforms recorded on the RPWS antennas provides estimations of the density and size distribution of the dust particles. Measured RPWS profiles, fitted with Lorentzian functions, are shown to be mostly consistent with the Cosmic Dust Analyzer, the dedicated dust instrument on board Cassini. The thickness of the dusty ring varies between 600 and 1,000 km. The peak location shifts north and south within 100 km of the ring plane, likely a function of the precession phase of Janus orbit.}, language = {en} } @article{YeZhangWarbyetal.2022, author = {Ye, Fangyuan and Zhang, Shuo and Warby, Jonathan and Wu, Jiawei and Gutierrez-Partida, Emilio and Lang, Felix and Shah, Sahil and Saglamkaya, Elifnaz and Sun, Bowen and Zu, Fengshuo and Shoai, Safa and Wang, Haifeng and Stiller, Burkhard and Neher, Dieter and Zhu, Wei-Hong and Stolterfoht, Martin and Wu, Yongzhen}, title = {Overcoming C₆₀-induced interfacial recombination in inverted perovskite solar cells by electron-transporting carborane}, series = {Nature Communications}, volume = {13}, journal = {Nature Communications}, publisher = {Springer Nature}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-022-34203-x}, pages = {12}, year = {2022}, abstract = {Inverted perovskite solar cells still suffer from significant non-radiative recombination losses at the perovskite surface and across the perovskite/C₆₀ interface, limiting the future development of perovskite-based single- and multi-junction photovoltaics. Therefore, more effective inter- or transport layers are urgently required. To tackle these recombination losses, we introduce ortho-carborane as an interlayer material that has a spherical molecular structure and a three-dimensional aromaticity. Based on a variety of experimental techniques, we show that ortho-carborane decorated with phenylamino groups effectively passivates the perovskite surface and essentially eliminates the non-radiative recombination loss across the perovskite/C₆₀ interface with high thermal stability. We further demonstrate the potential of carborane as an electron transport material, facilitating electron extraction while blocking holes from the interface. The resulting inverted perovskite solar cells deliver a power conversion efficiency of over 23\% with a low non-radiative voltage loss of 110 mV, and retain >97\% of the initial efficiency after 400 h of maximum power point tracking. Overall, the designed carborane based interlayer simultaneously enables passivation, electron-transport and hole-blocking and paves the way toward more efficient and stable perovskite solar cells.}, language = {en} } @article{YeZhangWarbyetal.2022, author = {Ye, Fangyuan and Zhang, Shuo and Warby, Jonathan and Wu, Jiawei and Gutierrez-Partida, Emilio and Lang, Felix and Shah, Sahil and Saglamkaya, Elifnaz and Sun, Bowen and Zu, Fengshuo and Shoaee, Safa and Wang, Haifeng and Stiller, Burkhard and Neher, Dieter and Zhu, Wei-Hong and Stolterfoht, Martin and Wu, Yongzhen}, title = {Overcoming C-60-induced interfacial recombination in inverted perovskite solar cells by electron-transporting carborane}, series = {Nature Communications}, volume = {13}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-022-34203-x}, pages = {12}, year = {2022}, abstract = {Inverted perovskite solar cells still suffer from significant non-radiative recombination losses at the perovskite surface and across the perovskite/C-60 interface, limiting the future development of perovskite-based single- and multi-junction photovoltaics. Therefore, more effective inter- or transport layers are urgently required. To tackle these recombination losses, we introduce ortho-carborane as an interlayer material that has a spherical molecular structure and a three-dimensional aromaticity. Based on a variety of experimental techniques, we show that ortho-carborane decorated with phenylamino groups effectively passivates the perovskite surface and essentially eliminates the non-radiative recombination loss across the perovskite/C-60 interface with high thermal stability. We further demonstrate the potential of carborane as an electron transport material, facilitating electron extraction while blocking holes from the interface. The resulting inverted perovskite solar cells deliver a power conversion efficiency of over 23\% with a low non-radiative voltage loss of 110mV, and retain >97\% of the initial efficiency after 400h of maximum power point tracking. Overall, the designed carborane based interlayer simultaneously enables passivation, electron-transport and hole-blocking and paves the way toward more efficient and stable perovskite solar cells. Effective transport layers are essential to suppress non-radiative recombination losses. Here, the authors introduce phenylamino-functionalized ortho-carborane as an interfacial layer, and realise inverted perovskite solar cells with efficiency of over 23\% and operational stability of T97=400h.}, language = {en} } @article{YazmaciyanStolterfohtBurnetal.2018, author = {Yazmaciyan, Aren and Stolterfoht, Martin and Burn, Paul L. and Lin, Qianqian and Meredith, Paul and Armin, Ardalan}, title = {Recombination losses above and below the transport percolation threshold in bulk heterojunction organic solar cells}, series = {Advanced energy materials}, volume = {8}, journal = {Advanced energy materials}, number = {18}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201703339}, pages = {8}, year = {2018}, abstract = {Achieving the highest power conversion efficiencies in bulk heterojunction organic solar cells requires a morphology that delivers electron and hole percolation pathways for optimized transport, plus sufficient donor:acceptor contact area for near unity charge transfer state formation. This is a significant structural challenge, particularly in semiconducting polymer:fullerene systems. This balancing act in the model high efficiency PTB7:PC70BM blend is studied by tuning the donor:acceptor ratio, with a view to understanding the recombination loss mechanisms above and below the fullerene transport percolation threshold. The internal quantum efficiency is found to be strongly correlated to the slower carrier mobility in agreement with other recent studies. Furthermore, second-order recombination losses dominate the shape of the current density-voltage curve in efficient blend combinations, where the fullerene phase is percolated. However, below the charge transport percolation threshold, there is an electric-field dependence of first-order losses, which includes electric-field-dependent photogeneration. In the intermediate regime, the fill factor appears to be limited by both first- and second-order losses. These findings provide additional basic understanding of the interplay between the bulk heterojunction morphology and the order of recombination in organic solar cells. They also shed light on the limitations of widely used transport models below the percolation threshold.}, language = {en} } @article{YangJaiserStilleretal.2006, author = {Yang, Xiao Hui and Jaiser, Frank and Stiller, Burkhard and Neher, Dieter and Galbrecht, Frank and Scherf, Ullrich}, title = {Efficient polymer electrophosphoreseent devices with interfacial layers}, series = {Advanced functional materials}, volume = {16}, journal = {Advanced functional materials}, number = {16}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1616-301X}, doi = {10.1002/adfm.200500834}, pages = {2156 -- 2162}, year = {2006}, abstract = {It is shown that several polymers can form insoluble interfacial layers on a poly (ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) layer after annealing of the double-layer structure. The thickness of the interlayer is dependent on the characteristics of the underlying PEDOT.PSS and the molecular weight of the polymers. It is further shown that the electronic structures of the interlayer polymers have a significant effect on the properties of red-light-emitting polymer-based electrophosphorescent devices. Upon increasing the highest occupied molecular orbital and lowest unoccupied molecular orbital positions, a significant increase in current density and device efficiency is observed. This is attributed to efficient blocking of electrons in combination with direct injection of holes from the interlayer to the phosphorescent dye. Upon proper choice of the interlayer polymer, efficient red, polymer-based electrophosphorescent devices with a peak luminance efficiency of 5.5 cd A(-1) (external quantum efficiency = 6 \%) and a maximum power-conversion efficiency of 5 Im W-1 can be realized.}, language = {en} } @article{YangZhuWolfetal.2018, author = {Yang, Jie and Zhu, Xiaolei and Wolf, Thomas J. A. and Li, Zheng and Nunes, Jo{\~a}o Pedro Figueira and Coffee, Ryan and Cryan, James P. and G{\"u}hr, Markus and Hegazy, Kareem and Heinz, Tony F. and Jobe, Keith and Li, Renkai and Shen, Xiaozhe and Veccione, Theodore and Weathersby, Stephen and Wilkin, Kyle J. and Yoneda, Charles and Zheng, Qiang and Martinez, Todd J. and Centurion, Martin and Wang, Xijie}, title = {Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction}, series = {Science}, volume = {361}, journal = {Science}, number = {6397}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington}, issn = {0036-8075}, doi = {10.1126/science.aat0049}, pages = {64 -- 67}, year = {2018}, abstract = {Conical intersections play a critical role in excited-state dynamics of polyatomic molecules because they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wave-packet trajectories through these intersections directly. Here, we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas-phase electron diffraction. In the two-photon channel, we have mapped out the real-space trajectories of a coherent nuclear wave packet, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitation of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab initio nonadiabatic dynamics calculations.}, language = {en} } @article{YanXueJiangetal.2022, author = {Yan, Xiaoli and Xue, Zhike and Jiang, Chaowei and Priest, E. R. and Kliem, Bernhard and Yang, Liheng and Wang, Jincheng and Kong, Defang and Song, Yongliang and Feng, Xueshang and Liu, Zhong}, title = {Fast plasmoid-mediated reconnection in a solar flare}, series = {Nature Communications}, volume = {13}, journal = {Nature Communications}, number = {1}, publisher = {Nature Publishing Group UK}, address = {London}, issn = {2041-1723}, doi = {10.1038/s41467-022-28269-w}, pages = {14}, year = {2022}, abstract = {Magnetic reconnection is a multi-faceted process of energy conversion in astrophysical, space and laboratory plasmas that operates at microscopic scales but has macroscopic drivers and consequences. Solar flares present a key laboratory for its study, leaving imprints of the microscopic physics in radiation spectra and allowing the macroscopic evolution to be imaged, yet a full observational characterization remains elusive. Here we combine high resolution imaging and spectral observations of a confined solar flare at multiple wavelengths with data-constrained magnetohydrodynamic modeling to study the dynamics of the flare plasma from the current sheet to the plasmoid scale. The analysis suggests that the flare resulted from the interaction of a twisted magnetic flux rope surrounding a filament with nearby magnetic loops whose feet are anchored in chromospheric fibrils. Bright cusp-shaped structures represent the region around a reconnecting separator or quasi-separator (hyperbolic flux tube). The fast reconnection, which is relevant for other astrophysical environments, revealed plasmoids in the current sheet and separatrices and associated unresolved turbulent motions. Solar flares provide wide range of observational details about fundamental processes involved. Here, the authors show evidence for magnetic reconnection in a strong confined solar flare displaying all four reconnection flows with plasmoids in the current sheet and the separatrices.}, language = {en} } @article{XueLiuWangetal.2019, author = {Xue, Rui and Liu, Ruo-Yu and Wang, Xiang-Yu and Yan, Huirong and B{\"o}ttcher, Markus}, title = {On the minimum jet power of TeV BL Lac objects in the p-gamma model}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, volume = {871}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, number = {1}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0004-637X}, doi = {10.3847/1538-4357/aaf720}, pages = {10}, year = {2019}, abstract = {We study the requirement of the jet power in the conventional p-gamma models (photopion production and Bethe-Heitler pair production) for TeV BL Lac objects. We select a sample of TeV BL Lac objects whose spectral energy distributions are difficult to explain by the one-zone leptonic model. Based on the relation between the p-gamma interaction efficiency and the opacity of gamma gamma absorption, we find that the detection of TeV emission poses upper limits on the p-gamma interaction efficiencies in these sources and hence minimum jet powers can be derived accordingly. We find that the obtained minimum jet powers exceed the Eddington luminosity of the supermassive black holes (SMBHs). Implications for the accretion mode of the SMBHs in these BL Lac objects and the origin of their TeV emissions are discussed.}, language = {en} } @article{XuLiuLietal.2020, author = {Xu, Yong and Liu, Xuemei and Li, Yongge and Metzler, Ralf}, title = {Heterogeneous diffusion processes and nonergodicity with Gaussian colored noise in layered diffusivity landscapes}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {102}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.102.062106}, pages = {16}, year = {2020}, abstract = {Heterogeneous diffusion processes (HDPs) with space-dependent diffusion coefficients D(x) are found in a number of real-world systems, such as for diffusion of macromolecules or submicron tracers in biological cells. Here, we examine HDPs in quenched-disorder systems with Gaussian colored noise (GCN) characterized by a diffusion coefficient with a power-law dependence on the particle position and with a spatially random scaling exponent. Typically, D(x) is considered to be centerd at the origin and the entire x axis is characterized by a single scaling exponent a. In this work we consider a spatially random scenario: in periodic intervals ("layers") in space D(x) is centerd to the midpoint of each interval. In each interval the scaling exponent alpha is randomly chosen from a Gaussian distribution. The effects of the variation of the scaling exponents, the periodicity of the domains ("layer thickness") of the diffusion coefficient in this stratified system, and the correlation time of the GCN are analyzed numerically in detail. We discuss the regimes of superdiffusion, subdiffusion, and normal diffusion realisable in this system. We observe and quantify the domains where nonergodic and non-Gaussian behaviors emerge in this system. Our results provide new insights into the understanding of weak ergodicity breaking for HDPs driven by colored noise, with potential applications in quenched layered systems, typical model systems for diffusion in biological cells and tissues, as well as for diffusion in geophysical systems.}, language = {en} } @article{XuZhouMetzleretal.2020, author = {Xu, Pengbo and Zhou, Tian and Metzler, Ralf and Deng, Weihua}, title = {L{\´e}vy walk dynamics in an external harmonic potential}, series = {Physical review : E, Statistical, nonlinear, and soft matter physics}, volume = {101}, journal = {Physical review : E, Statistical, nonlinear, and soft matter physics}, number = {6}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.101.062127}, pages = {12}, year = {2020}, abstract = {Levy walks (LWs) are spatiotemporally coupled random-walk processes describing superdiffusive heat conduction in solids, propagation of light in disordered optical materials, motion of molecular motors in living cells, or motion of animals, humans, robots, and viruses. We here investigate a key feature of LWs-their response to an external harmonic potential. In this generic setting for confined motion we demonstrate that LWs equilibrate exponentially and may assume a bimodal stationary distribution. We also show that the stationary distribution has a horizontal slope next to a reflecting boundary placed at the origin, in contrast to correlated superdiffusive processes. Our results generalize LWs to confining forces and settle some longstanding puzzles around LWs.}, language = {en} } @article{XuZhouMetzleretal.2022, author = {Xu, Pengbo and Zhou, Tian and Metzler, Ralf and Deng, Weihua}, title = {Stochastic harmonic trapping of a L{\´e}vy walk}, series = {New journal of physics : the open-access journal for physics / Deutsche Physikalische Gesellschaft ; IOP, Institute of Physics}, volume = {24}, journal = {New journal of physics : the open-access journal for physics / Deutsche Physikalische Gesellschaft ; IOP, Institute of Physics}, number = {3}, publisher = {Deutsche Physikalische Gesellschaft}, address = {Bad Honnef}, issn = {1367-2630}, doi = {10.1088/1367-2630/ac5282}, pages = {1 -- 28}, year = {2022}, abstract = {We introduce and study a L{\´e}vy walk (LW) model of particle spreading with a finite propagation speed combined with soft resets, stochastically occurring periods in which an harmonic external potential is switched on and forces the particle towards a specific position. Soft resets avoid instantaneous relocation of particles that in certain physical settings may be considered unphysical. Moreover, soft resets do not have a specific resetting point but lead the particle towards a resetting point by a restoring Hookean force. Depending on the exact choice for the LW waiting time density and the probability density of the periods when the harmonic potential is switched on, we demonstrate a rich emerging response behaviour including ballistic motion and superdiffusion. When the confinement periods of the soft-reset events are dominant, we observe a particle localisation with an associated non-equilibrium steady state. In this case the stationary particle probability density function turns out to acquire multimodal states. Our derivations are based on Markov chain ideas and LWs with multiple internal states, an approach that may be useful and flexible for the investigation of other generalised random walks with soft and hard resets. The spreading efficiency of soft-rest LWs is characterised by the first-passage time statistic.}, language = {en} } @article{XuMetzlerWang2022, author = {Xu, Pengbo and Metzler, Ralf and Wang, Wanli}, title = {Infinite density and relaxation for Levy walks in an external potential}, series = {Physical review}, volume = {105}, journal = {Physical review}, number = {4}, publisher = {American Physical Society}, address = {College Park}, issn = {2470-0045}, doi = {10.1103/PhysRevE.105.044118}, pages = {15}, year = {2022}, abstract = {Levy walks are continuous-time random-walk processes with a spatiotemporal coupling of jump lengths and waiting times. We here apply the Hermite polynomial method to study the behavior of LWs with power-law walking time density for four different cases. First we show that the known result for the infinite density of an unconfined, unbiased LW is consistently recovered. We then derive the asymptotic behavior of the probability density function (PDF) for LWs in a constant force field, and we obtain the corresponding qth-order moments. In a harmonic external potential we derive the relaxation dynamic of the LW. For the case of a Poissonian walking time an exponential relaxation behavior is shown to emerge. Conversely, a power-law decay is obtained when the mean walking time diverges. Finally, we consider the case of an unconfined, unbiased LW with decaying speed v(r ) = v0/./r. When the mean walking time is finite, a universal Gaussian law for the position-PDF of the walker is obtained explicitly.}, language = {en} } @article{XuDengSandev2020, author = {Xu, Pengbo and Deng, Weihua and Sandev, Trifce}, title = {Levy walk with parameter dependent velocity}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {53}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {11}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/ab7420}, pages = {26}, year = {2020}, abstract = {To analyze stochastic processes, one often uses integral transform (Fourier and Laplace) methods. However, for the time-space coupled cases, e.g. the Levy walk, sometimes the integral transform method may fail. Here we provide a Hermite polynomial expansion approach, being complementary to the integral transform method, to the Levy walk. Two approaches are compared for some already known results. We also consider the generalized Levy walk with parameter dependent velocity. Namely, we consider the Levy walk with velocity which depends on the walking length or on the duration of each step. Some interesting features of the generalized Levy walk are observed, including the special shapes of the probability density function, the first passage time distributions, and various diffusive behaviors of the mean squared displacement.}, language = {en} } @article{XiongMignoletFangetal.2017, author = {Xiong, Hui and Mignolet, Benoit and Fang, Li and Osipov, Timur and Wolf, Thomas J. A. and Sistrunk, Emily and G{\"u}hr, Markus and Remacle, Francoise and Berrah, Nora}, title = {The Role of Super-Atom Molecular Orbitals in Doped Fullerenes in a Femtosecond Intense Laser Field}, series = {Scientific reports}, volume = {7}, journal = {Scientific reports}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-017-00124-9}, pages = {8}, year = {2017}, abstract = {The interaction of gas phase endohedral fullerene Ho3N@C-80 with intense (0.1-5 x 10(14) W/cm(2)), short (30 fs), 800 nm laser pulses was investigated. The power law dependence of Ho3N@C-80(q+), q = 1-2, was found to be different from that of C-60. Time-dependent density functional theory computations revealed different light-induced ionization mechanisms. Unlike in C-60, in doped fullerenes, the breaking of the cage spherical symmetry makes super atomic molecular orbital (SAMO) states optically active. Theoretical calculations suggest that the fast ionization of the SAMO states in Ho3N@C-80 is responsible for the n = 3 power law for singly charged parent molecules at intensities lower than 1.2 x 10(14) W/cm(2).}, language = {en} } @article{XiongFangOsipovetal.2018, author = {Xiong, Hui and Fang, Li and Osipov, Timur and Kling, Nora G. and Wolf, Thomas J. A. and Sistrunk, Emily and Obaid, Razib and G{\"u}hr, Markus and Berrah, Nora}, title = {Fragmentation of endohedral fullerene Ho3N@C-80 in an intense femtosecond near-infrared laser field}, series = {Physical review : A, Atomic, molecular, and optical physics}, volume = {97}, journal = {Physical review : A, Atomic, molecular, and optical physics}, number = {2}, publisher = {American Physical Society}, address = {College Park}, issn = {2469-9926}, doi = {10.1103/PhysRevA.97.023419}, pages = {7}, year = {2018}, abstract = {The fragmentation of gas phase endohedral fullerene, Ho3N@C-80, was investigated using femtosecond near-infrared laser pulses with an ion velocity map imaging spectrometer. We observed that Ho+ abundance associated with carbon cage opening dominates at an intensity of 1.1 x 10(14) W/cm(2). As the intensity increases, the Ho+ yield associated with multifragmentation of the carbon cage exceeds the prominence of Ho+ associated with the gentler carbon cage opening. Moreover, the power law dependence of Ho+ on laser intensity indicates that the transition of the most likely fragmentation mechanisms occurs around 2.0 x 10(14) W/cm(2).}, language = {en} }