@article{Dell'AngelaAnniyevBeyeetal.2013, author = {Dell'Angela, M. and Anniyev, Toyli and Beye, Martin and Coffee, Ryan and F{\"o}hlisch, Alexander and Gladh, J. and Katayama, T. and Kaya, S. and Krupin, O. and LaRue, J. and Mogelhoj, A. and Nordlund, D. and Norskov, J. K. and Oberg, H. and Ogasawara, H. and Ostrom, H. and Pettersson, Lars G. M. and Schlotter, W. F. and Sellberg, J. A. and Sorgenfrei, Nomi and Turner, J. J. and Wolf, M. and Wurth, W. and Nilsson, A.}, title = {Real-time observation of surface bond breaking with an X-ray Laser}, series = {Science}, volume = {339}, journal = {Science}, number = {6125}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington}, issn = {0036-8075}, doi = {10.1126/science.1231711}, pages = {1302 -- 1305}, year = {2013}, abstract = {We used the Linac Coherent Light Source free-electron x-ray laser to probe the electronic structure of CO molecules as their chemisorption state on Ru(0001) changes upon exciting the substrate by using a femtosecond optical laser pulse. We observed electronic structure changes that are consistent with a weakening of the CO interaction with the substrate but without notable desorption. A large fraction of the molecules (30\%) was trapped in a transient precursor state that would precede desorption. We calculated the free energy of the molecule as a function of the desorption reaction coordinate using density functional theory, including van der Waals interactions. Two distinct adsorption wells-chemisorbed and precursor state separated by an entropy barrier-explain the anomalously high prefactors often observed in desorption of molecules from metals.}, language = {en} } @article{JeltschBlaumBroseetal.2013, author = {Jeltsch, Florian and Blaum, Niels and Brose, Ulrich and Chipperfield, Joseph D. and Clough, Yann and Farwig, Nina and Geissler, Katja and Graham, Catherine H. and Grimm, Volker and Hickler, Thomas and Huth, Andreas and May, Felix and Meyer, Katrin M. and Pagel, J{\"o}rn and Reineking, Bj{\"o}rn and Rillig, Matthias C. and Shea, Katriona and Schurr, Frank Martin and Schroeder, Boris and Tielb{\"o}rger, Katja and Weiss, Lina and Wiegand, Kerstin and Wiegand, Thorsten and Wirth, Christian and Zurell, Damaris}, title = {How can we bring together empiricists and modellers in functional biodiversity research?}, series = {Basic and applied ecology : Journal of the Gesellschaft f{\"u}r {\"O}kologie}, volume = {14}, journal = {Basic and applied ecology : Journal of the Gesellschaft f{\"u}r {\"O}kologie}, number = {2}, publisher = {Elsevier}, address = {Jena}, issn = {1439-1791}, doi = {10.1016/j.baae.2013.01.001}, pages = {93 -- 101}, year = {2013}, abstract = {Improving our understanding of biodiversity and ecosystem functioning and our capacity to inform ecosystem management requires an integrated framework for functional biodiversity research (FBR). However, adequate integration among empirical approaches (monitoring and experimental) and modelling has rarely been achieved in FBR. We offer an appraisal of the issues involved and chart a course towards enhanced integration. A major element of this path is the joint orientation towards the continuous refinement of a theoretical framework for FBR that links theory testing and generalization with applied research oriented towards the conservation of biodiversity and ecosystem functioning. We further emphasize existing decision-making frameworks as suitable instruments to practically merge these different aims of FBR and bring them into application. This integrated framework requires joint research planning, and should improve communication and stimulate collaboration between modellers and empiricists, thereby overcoming existing reservations and prejudices. The implementation of this integrative research agenda for FBR requires an adaptation in most national and international funding schemes in order to accommodate such joint teams and their more complex structures and data needs.}, language = {en} } @article{LigorioNardiSteyrleuthneretal.2016, author = {Ligorio, G. and Nardi, M. V. and Steyrleuthner, Robert and Ihiawakrim, D. and Crespo-Monteiro, N. and Brinkmann, Martin and Neher, Dieter and Koch, N.}, title = {Metal nanoparticle mediated space charge and its optical control in an organic hole-only device}, series = {Applied physics letters}, volume = {108}, journal = {Applied physics letters}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0003-6951}, doi = {10.1063/1.4945710}, pages = {5}, year = {2016}, abstract = {We reveal the role of localized space charges in hole-only devices based on an organic semiconductor with embedded metal nanoparticles (MNPs). MNPs act as deep traps for holes and reduce the current density compared to a device without MNPs by a factor of 10(4) due to the build-up of localized space charge. Dynamic MNPs charged neutrality can be realized during operation by electron transfer from excitons created in the organic matrix, enabling light sensing independent of device bias. In contrast to the previous speculations, electrical bistability in such devices was not observed. (C) 2016 AIP Publishing LLC.}, language = {en} } @article{BeyeAnniyevCoffeeetal.2013, author = {Beye, Martin and Anniyev, Toyli and Coffee, Ryan and Dell'Angela, Martina and F{\"o}hlisch, Alexander and Gladh, J. and Katayama, T. and Kaya, S. and Krupin, O. and Mogelhoj, A. and Nilsson, A. and Nordlund, D. and Norskov, J. K. and Oberg, H. and Ogasawara, H. and Pettersson, Lars G. M. and Schlotter, W. F. and Sellberg, J. A. and Sorgenfrei, Nomi and Turner, J. J. and Wolf, M. and Wurth, Wilfried and Ostrom, H.}, title = {Selective ultrafast probing of transient hot chemisorbed and precursor States of CO on Ru(0001)}, series = {Physical review letters}, volume = {110}, journal = {Physical review letters}, number = {18}, publisher = {American Physical Society}, address = {College Park}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.110.186101}, pages = {6}, year = {2013}, abstract = {We have studied the femtosecond dynamics following optical laser excitation of CO adsorbed on a Ru surface by monitoring changes in the occupied and unoccupied electronic structure using ultrafast soft x-ray absorption and emission. We recently reported [M. Dell'Angela et al. Science 339, 1302 (2013)] a phonon-mediated transition into a weakly adsorbed precursor state occurring on a time scale of >2 ps prior to desorption. Here we focus on processes within the first picosecond after laser excitation and show that the metal-adsorbate coordination is initially increased due to hot-electron-driven vibrational excitations. This process is faster than, but occurs in parallel with, the transition into the precursor state. With resonant x-ray emission spectroscopy, we probe each of these states selectively and determine the respective transient populations depending on optical laser fluence. Ab initio molecular dynamics simulations of CO adsorbed on Ru(0001) were performed at 1500 and 3000 K providing insight into the desorption process.}, language = {en} } @misc{StolterfohtGrischekCaprioglioetal.2020, author = {Stolterfoht, Martin and Grischek, Max and Caprioglio, Pietro and Wolff, Christian Michael and Gutierrez-Partida, Emilio and Pe{\~n}a-Camargo, Francisco and Rothhardt, Daniel and Zhang, Shanshan and Raoufi, Meysam and Wolansky, Jakob and Abdi-Jalebi, Mojtaba and Stranks, Samuel D. and Albrecht, Steve and Kirchartz, Thomas and Neher, Dieter}, title = {How to quantify the efficiency potential of neat perovskite films}, series = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, journal = {Zweitver{\"o}ffentlichungen der Universit{\"a}t Potsdam : Mathematisch-Naturwissenschaftliche Reihe}, number = {17}, issn = {1866-8372}, doi = {10.25932/publishup-51662}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-516622}, pages = {12}, year = {2020}, abstract = {Perovskite photovoltaic (PV) cells have demonstrated power conversion efficiencies (PCE) that are close to those of monocrystalline silicon cells; however, in contrast to silicon PV, perovskites are not limited by Auger recombination under 1-sun illumination. Nevertheless, compared to GaAs and monocrystalline silicon PV, perovskite cells have significantly lower fill factors due to a combination of resistive and non-radiative recombination losses. This necessitates a deeper understanding of the underlying loss mechanisms and in particular the ideality factor of the cell. By measuring the intensity dependence of the external open-circuit voltage and the internal quasi-Fermi level splitting (QFLS), the transport resistance-free efficiency of the complete cell as well as the efficiency potential of any neat perovskite film with or without attached transport layers are quantified. Moreover, intensity-dependent QFLS measurements on different perovskite compositions allows for disentangling of the impact of the interfaces and the perovskite surface on the non-radiative fill factor and open-circuit voltage loss. It is found that potassium-passivated triple cation perovskite films stand out by their exceptionally high implied PCEs > 28\%, which could be achieved with ideal transport layers. Finally, strategies are presented to reduce both the ideality factor and transport losses to push the efficiency to the thermodynamic limit.}, language = {en} } @article{StolterfohtGrischekCaprioglioetal.2020, author = {Stolterfoht, Martin and Grischek, Max and Caprioglio, Pietro and Wolff, Christian Michael and Gutierrez-Partida, Emilio and Pe{\~n}a-Camargo, Francisco and Rothhardt, Daniel and Zhang, Shanshan and Raoufi, Meysam and Wolansky, Jakob and Abdi-Jalebi, Mojtaba and Stranks, Samuel D. and Albrecht, Steve and Kirchartz, Thomas and Neher, Dieter}, title = {How to quantify the efficiency potential of neat perovskite films}, series = {Advanced Materials}, volume = {32}, journal = {Advanced Materials}, number = {17}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0935-9648}, doi = {10.1002/adma.202000080}, pages = {1 -- 10}, year = {2020}, abstract = {Perovskite photovoltaic (PV) cells have demonstrated power conversion efficiencies (PCE) that are close to those of monocrystalline silicon cells; however, in contrast to silicon PV, perovskites are not limited by Auger recombination under 1-sun illumination. Nevertheless, compared to GaAs and monocrystalline silicon PV, perovskite cells have significantly lower fill factors due to a combination of resistive and non-radiative recombination losses. This necessitates a deeper understanding of the underlying loss mechanisms and in particular the ideality factor of the cell. By measuring the intensity dependence of the external open-circuit voltage and the internal quasi-Fermi level splitting (QFLS), the transport resistance-free efficiency of the complete cell as well as the efficiency potential of any neat perovskite film with or without attached transport layers are quantified. Moreover, intensity-dependent QFLS measurements on different perovskite compositions allows for disentangling of the impact of the interfaces and the perovskite surface on the non-radiative fill factor and open-circuit voltage loss. It is found that potassium-passivated triple cation perovskite films stand out by their exceptionally high implied PCEs > 28\%, which could be achieved with ideal transport layers. Finally, strategies are presented to reduce both the ideality factor and transport losses to push the efficiency to the thermodynamic limit.}, language = {en} } @article{BurattiThomasRoussosetal.2019, author = {Buratti, Bonnie J. and Thomas, P. C. and Roussos, Elias and Howett, Carly and Seiss, Martin and Hendrix, A. R. and Helfenstein, Paul and Brown, R. H. and Clark, R. N. and Denk, Tilmann and Filacchione, Gianrico and Hoffmann, Holger and Jones, Geraint H. and Khawaja, N. and Kollmann, Peter and Krupp, Norbert and Lunine, Jonathan and Momary, T. W. and Paranicas, Christopher and Postberg, Frank and Sachse, Manuel and Spahn, Frank and Spencer, John and Srama, Ralf and Albin, T. and Baines, K. H. and Ciarniello, Mauro and Economou, Thanasis and Hsu, Hsiang-Wen and Kempf, Sascha and Krimigis, Stamatios M. and Mitchell, Donald and Moragas-Klostermeyer, Georg and Nicholson, Philip D. and Porco, C. C. and Rosenberg, Heike and Simolka, Jonas and Soderblom, Laurence A.}, title = {Close Cassini flybys of Saturn's ring moons Pan, Daphnis, Atlas, Pandora, and Epimetheus}, series = {Science}, volume = {364}, journal = {Science}, number = {6445}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington}, issn = {0036-8075}, doi = {10.1126/science.aat2349}, pages = {1053}, year = {2019}, abstract = {Saturn's main ring system is associated with a set of small moons that either are embedded within it or interact with the rings to alter their shape and composition. Five close flybys of the moons Pan, Daphnis, Atlas, Pandora, and Epimetheus were performed between December 2016 and April 2017 during the ring-grazing orbits of the Cassini mission. Data on the moons' morphology, structure, particle environment, and composition were returned, along with images in the ultraviolet and thermal infrared. We find that the optical properties of the moons' surfaces are determined by two competing processes: contamination by a red material formed in Saturn's main ring system and accretion of bright icy particles or water vapor from volcanic plumes originating on the moon Enceladus.}, language = {en} } @article{GrohDiamantopoulosDuanetal.2022, author = {Groh, Jannis and Diamantopoulos, Efstathios and Duan, Xiaohong and Ewert, Frank and Heinlein, Florian and Herbst, Michael and Holbak, Maja and Kamali, Bahareh and Kersebaum, Kurt-Christian and Kuhnert, Matthias and Nendel, Claas and Priesack, Eckart and Steidl, J{\"o}rg and Sommer, Michael and P{\"u}tz, Thomas and Vanderborght, Jan and Vereecken, Harry and Wallor, Evelyn and Weber, Tobias K. D. and Wegehenkel, Martin and Weiherm{\"u}ller, Lutz and Gerke, Horst H.}, title = {Same soil, different climate: Crop model intercomparison on translocated lysimeters}, series = {Vadose zone journal}, volume = {21}, journal = {Vadose zone journal}, number = {4}, publisher = {Wiley}, address = {Hoboken}, issn = {1539-1663}, doi = {10.1002/vzj2.20202}, pages = {25}, year = {2022}, abstract = {Crop model intercomparison studies have mostly focused on the assessment of predictive capabilities for crop development using weather and basic soil data from the same location. Still challenging is the model performance when considering complex interrelations between soil and crop dynamics under a changing climate. The objective of this study was to test the agronomic crop and environmental flux-related performance of a set of crop models. The aim was to predict weighing lysimeter-based crop (i.e., agronomic) and water-related flux or state data (i.e., environmental) obtained for the same soil monoliths that were taken from their original environment and translocated to regions with different climatic conditions, after model calibration at the original site. Eleven models were deployed in the study. The lysimeter data (2014-2018) were from the Dedelow (Dd), Bad Lauchstadt (BL), and Selhausen (Se) sites of the TERENO (TERrestrial ENvironmental Observatories) SOILCan network. Soil monoliths from Dd were transferred to the drier and warmer BL site and the wetter and warmer Se site, which allowed a comparison of similar soil and crop under varying climatic conditions. The model parameters were calibrated using an identical set of crop- and soil-related data from Dd. Environmental fluxes and crop growth of Dd soil were predicted for conditions at BL and Se sites using the calibrated models. The comparison of predicted and measured data of Dd lysimeters at BL and Se revealed differences among models. At site BL, the crop models predicted agronomic and environmental components similarly well. Model performance values indicate that the environmental components at site Se were better predicted than agronomic ones. The multi-model mean was for most observations the better predictor compared with those of individual models. For Se site conditions, crop models failed to predict site-specific crop development indicating that climatic conditions (i.e., heat stress) were outside the range of variation in the data sets considered for model calibration. For improving predictive ability of crop models (i.e., productivity and fluxes), more attention should be paid to soil-related data (i.e., water fluxes and system states) when simulating soil-crop-climate interrelations in changing climatic conditions.}, language = {en} } @article{HempelSavenjieStolterfohtetal.2022, author = {Hempel, Hannes and Savenjie, Tom J. and Stolterfoht, Martin and Neu, Jens and Failla, Michele and Paingad, Vaisakh C. and Kužel, Petr and Heilweil, Edwin J. and Spies, Jacob A. and Schleuning, Markus and Zhao, Jiashang and Friedrich, Dennis and Schwarzburg, Klaus and Siebbeles, Laurens D. A. and D{\"o}rflinger, Patrick and Dyakonov, Vladimir and Katoh, Ryuzi and Hong, Min Ji and Labram, John G. and Monti, Maurizio and Butler-Caddle, Edward and Lloyd-Hughes, James and Taheri, Mohammad M. and Baxter, Jason B. and Magnanelli, Timothy J. and Luo, Simon and Cardon, Joseph M. and Ardo, Shane and Unold, Thomas}, title = {Predicting solar cell performance from terahertz and microwave spectroscopy}, series = {Advanced energy materials}, volume = {12}, journal = {Advanced energy materials}, number = {13}, publisher = {Wiley}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.202102776}, pages = {16}, year = {2022}, abstract = {Mobilities and lifetimes of photogenerated charge carriers are core properties of photovoltaic materials and can both be characterized by contactless terahertz or microwave measurements. Here, the expertise from fifteen laboratories is combined to quantitatively model the current-voltage characteristics of a solar cell from such measurements. To this end, the impact of measurement conditions, alternate interpretations, and experimental inter-laboratory variations are discussed using a (Cs,FA,MA)Pb(I,Br)(3) halide perovskite thin-film as a case study. At 1 sun equivalent excitation, neither transport nor recombination is significantly affected by exciton formation or trapping. Terahertz, microwave, and photoluminescence transients for the neat material yield consistent effective lifetimes implying a resistance-free JV-curve with a potential power conversion efficiency of 24.6 \%. For grainsizes above approximate to 20 nm, intra-grain charge transport is characterized by terahertz sum mobilities of approximate to 32 cm(2) V-1 s(-1). Drift-diffusion simulations indicate that these intra-grain mobilities can slightly reduce the fill factor of perovskite solar cells to 0.82, in accordance with the best-realized devices in the literature. Beyond perovskites, this work can guide a highly predictive characterization of any emerging semiconductor for photovoltaic or photoelectrochemical energy conversion. A best practice for the interpretation of terahertz and microwave measurements on photovoltaic materials is presented.}, language = {en} } @article{FusilloTremblayGaensickeetal.2018, author = {Fusillo, Nicola Pietro Gentile and Tremblay, Pier-Emmanuel and G{\"a}nsicke, Boris T. and Manser, Christopher J. and Cunningham, Tim and Cukanovaite, Elena and Hollands, Mark and Marsh, Thomas and Raddi, Roberto and Jordan, Stefan and Toonen, Silvia and Geier, Stephan and Barstow, Martin and Cummings, Jeffrey D.}, title = {A Gaia Data Release 2 catalogue of white dwarfs and a comparison with SDSS}, series = {Monthly notices of the Royal Astronomical Society}, volume = {482}, journal = {Monthly notices of the Royal Astronomical Society}, number = {4}, publisher = {Oxford Univ. Press}, address = {Oxford}, issn = {0035-8711}, doi = {10.1093/mnras/sty3016}, pages = {4570 -- 4591}, year = {2018}, abstract = {We present a catalogue of white dwarf candidates selected from the second data release of Gaia (DR2). We used a sample of spectroscopically confirmed white dwarfs from the Sloan Digital Sky Survey (SDSS) to map the entire space spanned by these objects in the Gaia Hertzsprung-Russell diagram. We then defined a set of cuts in absolute magnitude, colour, and a number of Gaia quality flags to remove the majority of contaminating objects. Finally, we adopt a method analogous to the one presented in our earlier SDSS photometric catalogues to calculate a probability of being a white dwarf (PWD) for all Gaia sources that passed the initial selection. The final catalogue is composed of 486641 stars with calculated PWD from which it is possible to select a sample of ≃260000 high-confidence white dwarf candidates in the magnitude range 8 < G < 21. By comparing this catalogue with a sample of SDSS white dwarf candidates, we estimate an upper limit in completeness of 85 per cent for white dwarfs with G ≤ 20 mag and Teff >7000 K, at high Galactic latitudes (|b| > 20°). However, the completeness drops at low Galactic latitudes, and the magnitude limit of the catalogue varies significantly across the sky as a function of Gaia's scanning law. We also provide the list of objects within our sample with available SDSS spectroscopy. We use this spectroscopic sample to characterize the observed structure of the white dwarf distribution in the H-R diagram.}, language = {en} }