@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{BuechnerdaCruzGroveretal.2022,
  author    = {B{\"u}chner, Robby and da Cruz, Vinicius Vaz and Grover, Nitika and Charisiadis, Asterios and Fondell, Mattis and Haverkamp, Robert and Senge, Mathias O. and F{\"o}hlisch, Alexander},
  title     = {Fundamental electronic changes upon intersystem crossing in large aromatic photosensitizers: free base 5,10,15,20-tetrakis(4-carboxylatophenyl)porphyrin},
  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    = {12},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/d1cp05420a},
  pages     = {7505 -- 7511},
  year      = {2022},
  abstract  = {Free base 5,10,15,20-tetrakis(4-carboxylatophenyl)porphyrin stands for the class of powerful porphyrin photosensitizers for singlet oxygen generation and light-harvesting. The atomic level selectivity of dynamic UV pump - N K-edge probe X-ray absorption spectroscopy in combination with time-dependent density functional theory (TD-DFT) gives direct access to the crucial excited molecular states within the unusual relaxation pathway. The efficient intersystem crossing, that is El-Sayed forbidden and not facilitated by a heavy atom is confirmed to be the result of the long singlet excited state lifetime (Q(x) 4.9 ns) and thermal effects. Overall, the interplay of stabilization by conservation of angular momenta and vibronic relaxation drive the de-excitation in these chromophores.},
  language  = {en}
}
@article{DorschJefferyIrrgangetal.2021,
  author    = {Dorsch, Matti and Jeffery, C. Simon and Irrgang, Andreas and Woolf, Vincent and Heber, Ulrich},
  title     = {EC 22536-5304},
  series = {Astronomy and astrophysics : an international weekly journal},
  volume    = {653},
  journal   = {Astronomy and astrophysics : an international weekly journal},
  publisher = {EDP Sciences},
  address   = {Les Ulis},
  issn      = {1432-0746},
  doi       = {10.1051/0004-6361/202141381},
  pages     = {22},
  year      = {2021},
  abstract  = {Helium-burning hot subdwarf stars of spectral types O and B (sdO/B) are thought to be produced through various types of binary interactions. The helium-rich hot subdwarf star EC 22536-5304 was recently found to be extremely enriched in lead. Here, we show that EC 22536-5304 is a binary star with a metal-poor subdwarf F-type (sdF) companion. We performed a detailed analysis of high-resolution SALT/HRS and VLT/UVES spectra, deriving metal abundances for the hot subdwarf, as well as atmospheric parameters for both components. Because we consider the contribution of the sdF star, the derived lead abundance for the sdOB, + 6.3 +/- 0.3 dex relative to solar, is even higher than previously thought. We derive T-eff = 6210 +/- 70 K, log g = 4.64 +/- 0.10, [FE/H] = - 1.95 +/- 0.04, and [alpha/Fe] = + 0.40 +/- 0.04 for the sdF component. Radial velocity variations, although poorly sampled at present, indicate that the binary system has a long orbital period of about 457 days. This suggests that the system was likely formed through stable Roche lobe overflow (RLOF). A kinematic analysis shows that EC 22536-5304 is on an eccentric orbit around the Galactic centre. This, as well as the low metallicity and strong alpha enhancement of the sdF-type companion, indicate that EC 22536-5304 is part of the Galactic halo or metal-weak thick disc. As the first long-period hot subdwarf binary at [FE/H] less than or similar to- 1, EC 22536-5304 may help to constrain the RLOF mechanism for mass transfer from low-mass, low-metallicity red giant branch (RGB) stars to main-sequence companions.},
  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{WangCherstvyKantzetal.2021,
  author    = {Wang, Wei and Cherstvy, Andrey G. and Kantz, Holger and Metzler, Ralf and Sokolov, Igor M.},
  title     = {Time averaging and emerging nonergodicity upon resetting of fractional Brownian motion and heterogeneous diffusion processes},
  series = {Physical review : E, Statistical, nonlinear and soft matter physics},
  volume    = {104},
  journal   = {Physical review : E, Statistical, nonlinear and soft matter physics},
  number    = {2},
  publisher = {American Institute of Physics},
  address   = {Woodbury, NY},
  issn      = {2470-0045},
  doi       = {10.1103/PhysRevE.104.024105},
  pages     = {27},
  year      = {2021},
  abstract  = {How different are the results of constant-rate resetting of anomalous-diffusion processes in terms of their ensemble-averaged versus time-averaged mean-squared displacements (MSDs versus TAMSDs) and how does stochastic resetting impact nonergodicity? We examine, both analytically and by simulations, the implications of resetting on the MSD- and TAMSD-based spreading dynamics of particles executing fractional Brownian motion (FBM) with a long-time memory, heterogeneous diffusion processes (HDPs) with a power-law space-dependent diffusivity D(x) = D0|x|gamma and their "combined" process of HDP-FBM. We find, inter alia, that the resetting dynamics of originally ergodic FBM for superdiffusive Hurst exponents develops disparities in scaling and magnitudes of the MSDs and mean TAMSDs indicating weak ergodicity breaking. For subdiffusive HDPs we also quantify the nonequivalence of the MSD and TAMSD and observe a new trimodal form of the probability density function. For reset FBM, HDPs and HDP-FBM we compute analytically and verify by simulations the short-time MSD and TAMSD asymptotes and long-time plateaus reminiscent of those for processes under confinement. We show that certain characteristics of these reset processes are functionally similar despite a different stochastic nature of their nonreset variants. Importantly, we discover nonmonotonicity of the ergodicitybreaking parameter EB as a function of the resetting rate r. For all reset processes studied we unveil a pronounced resetting-induced nonergodicity with a maximum of EB at intermediate r and EB similar to(1/r )-decay at large r. Alongside the emerging MSD-versus-TAMSD disparity, this r-dependence of EB can be an experimentally testable prediction. We conclude by discussing some implications to experimental systems featuring resetting dynamics.},
  language  = {en}
}
@article{KurilovichMantsevichMardoukhietal.2022,
  author    = {Kurilovich, Aleksandr A. and Mantsevich, Vladimir N. and Mardoukhi, Yousof and Stevenson, Keith J. and Chechkin, Aleksei and Palyulin, Vladimir V.},
  title     = {Non-Markovian diffusion of excitons in layered perovskites and transition metal dichalcogenides},
  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    = {22},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/d2cp00557c},
  pages     = {13941 -- 13950},
  year      = {2022},
  abstract  = {The diffusion of excitons in perovskites and transition metal dichalcogenides shows clear anomalous, subdiffusive behaviour in experiments. In this paper we develop a non-Markovian mobile-immobile model which provides an explanation of this behaviour through paired theoretical and simulation approaches. The simulation model is based on a random walk on a 2D lattice with randomly distributed deep traps such that the trapping time distribution involves slowly decaying power-law asymptotics. The theoretical model uses coupled diffusion and rate equations for free and trapped excitons, respectively, with an integral term responsible for trapping. The model provides a good fitting of the experimental data, thus, showing a way for quantifying the exciton diffusion dynamics.},
  language  = {en}
}
@article{GrischekCaprioglioZhangetal.2022,
  author    = {Grischek, Max and Caprioglio, Pietro and Zhang, Jiahuan and Pena-Camargo, Francisco and Sveinbjornsson, Kari and Zu, Fengshuo and Menzel, Dorothee and Warby, Jonathan and Li, Jinzhao and Koch, Norbert and Unger, Eva and Korte, Lars and Neher, Dieter and Stolterfoht, Martin and Albrecht, Steve},
  title     = {Efficiency Potential and Voltage Loss of Inorganic CsPbI2Br Perovskite Solar Cells},
  series = {Solar RRL},
  volume    = {6},
  journal   = {Solar RRL},
  number    = {11},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {2367-198X},
  doi       = {10.1002/solr.202200690},
  pages     = {12},
  year      = {2022},
  abstract  = {Inorganic perovskite solar cells show excellent thermal stability, but the reported power conversion efficiencies are still lower than for organic-inorganic perovskites. This is mainly caused by lower open-circuit voltages (V(OC)s). Herein, the reasons for the low V-OC in inorganic CsPbI2Br perovskite solar cells are investigated. Intensity-dependent photoluminescence measurements for different layer stacks reveal that n-i-p and p-i-n CsPbI2Br solar cells exhibit a strong mismatch between quasi-Fermi level splitting (QFLS) and V-OC. Specifically, the CsPbI2Br p-i-n perovskite solar cell has a QFLS-e center dot V-OC mismatch of 179 meV, compared with 11 meV for a reference cell with an organic-inorganic perovskite of similar bandgap. On the other hand, this study shows that the CsPbI2Br films with a bandgap of 1.9 eV have a very low defect density, resulting in an efficiency potential of 20.3\% with a MeO-2PACz hole-transporting layer and 20.8\% on compact TiO2. Using ultraviolet photoelectron spectroscopy measurements, energy level misalignment is identified as a possible reason for the QFLS-e center dot V-OC mismatch and strategies for overcoming this V-OC limitation are discussed. This work highlights the need to control the interfacial energetics in inorganic perovskite solar cells, but also gives promise for high efficiencies once this issue is resolved.},
  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{MorrisBohdanWeidletal.2023,
  author    = {Morris, Paul J. and Bohdan, Artem and Weidl, Martin S. and Tsirou, Michelle and Fulat, Karol and Pohl, Martin},
  title     = {Pre-acceleration in the electron foreshock. II. oblique whistler waves},
  series = {The astrophysical journal : an international review of spectroscopy and astronomical physics},
  volume    = {944},
  journal   = {The astrophysical journal : an international review of spectroscopy and astronomical physics},
  number    = {1},
  publisher = {Institute of Physics Publ.},
  address   = {London},
  issn      = {0004-637X},
  doi       = {10.3847/1538-4357/acaec8},
  pages     = {12},
  year      = {2023},
  abstract  = {Thermal electrons have gyroradii many orders of magnitude smaller than the finite width of a shock, thus need to be pre-accelerated before they can cross it and be accelerated by diffusive shock acceleration. One region where pre-acceleration may occur is the inner foreshock, which upstream electrons must pass through before any potential downstream crossing. In this paper, we perform a large-scale particle-in-cell simulation that generates a single shock with parameters motivated from supernova remnants. Within the foreshock, reflected electrons excite the oblique whistler instability and produce electromagnetic whistler waves, which comove with the upstream flow and as nonlinear structures eventually reach radii of up to 5 ion-gyroradii. We show that the inner electromagnetic configuration of the whistlers evolves into complex nonlinear structures bound by a strong magnetic field around four times the upstream value. Although these nonlinear structures do not in general interact with cospatial upstream electrons, they resonate with electrons that have been reflected at the shock. We show that they can scatter, or even trap, reflected electrons, confining around 0.8\% of the total upstream electron population to the region close to the shock where they can undergo substantial pre-acceleration. This acceleration process is similar to, yet approximately three times more efficient than, stochastic shock drift acceleration.},
  language  = {en}
}
@article{PenaCamargoThiesbrummelHempeletal.2022,
  author    = {Pena-Camargo, Francisco and Thiesbrummel, Jarla and Hempel, Hannes and Musiienko, Artem and Le Corre, Vincent M. and Diekmann, Jonas and Warby, Jonathan and Unold, Thomas and Lang, Felix and Neher, Dieter and Stolterfoht, Martin},
  title     = {Revealing the doping density in perovskite solar cells and its impact on device performance},
  series = {Applied physics reviews},
  volume    = {9},
  journal   = {Applied physics reviews},
  number    = {2},
  publisher = {AIP Publishing},
  address   = {Melville},
  issn      = {1931-9401},
  doi       = {10.1063/5.0085286},
  pages     = {11},
  year      = {2022},
  abstract  = {Traditional inorganic semiconductors can be electronically doped with high precision. Conversely, there is still conjecture regarding the assessment of the electronic doping density in metal-halide perovskites, not to mention of a control thereof. This paper presents a multifaceted approach to determine the electronic doping density for a range of different lead-halide perovskite systems. Optical and electrical characterization techniques, comprising intensity-dependent and transient photoluminescence, AC Hall effect, transfer-length-methods, and charge extraction measurements were instrumental in quantifying an upper limit for the doping density. The obtained values are subsequently compared to the electrode charge per cell volume under short-circuit conditions ( CUbi/eV), which amounts to roughly 10(16) cm(-3). This figure of merit represents the critical limit below which doping-induced charges do not influence the device performance. The experimental results consistently demonstrate that the doping density is below this critical threshold 10(12) cm(-3), which means << CUbi / e V) for all common lead-based metal-halide perovskites. Nevertheless, although the density of doping-induced charges is too low to redistribute the built-in voltage in the perovskite active layer, mobile ions are present in sufficient quantities to create space-charge-regions in the active layer, reminiscent of doped pn-junctions. These results are well supported by drift-diffusion simulations, which confirm that the device performance is not affected by such low doping densities.},
  language  = {en}
}