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Hirzler, H., R.S. Lous, E. Trimby, J. Pérez-Ríos, A. Safavi-Naini und R. Gerritsma: Observation of Chemical Reactions between a Trapped Ion and Ultracold Feshbach Dimers. Physical Review Letters 128 (10), 103401 (2022).

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Hoesch, M., J. Seltmann, F. Trinter, S. Kühn, M. Togawa, R. Steinbrügge, S. Bernitt und J.R. Crespo López-Urrutia: Highly Charged Ions for High-Resolution Soft X-ray Grating Monochromator Optimisation. Journal of Physics: Conference Series 2380, 012086 (2022).

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Holldack, K., C. Schüßler-Langeheine, N. Pontius, T. Kachel, P. Baumgärtel, Y.W. Windsor, D. Zahn, P. Goslawski, M. Koopmans und M. Ries: Two-color synchrotron X-ray spectroscopy based on transverse resonance island buckets. Scientific Reports 12, 14876 (2022).

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Hoock, B., S. Rigamonti und C. Draxl: Advancing descriptor search in materials science: feature engineering and selection strategies. New Journal of Physics 24 (11), 113049 (2022).

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Hu, X., M.-O. Lenz und C. Baldauf: Better force fields start with better data: A data set of cation dipeptide interactions. Scientific Data 9, 327 (2022).

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Huo, H. und M. Rupp: Unified representation of molecules and crystals for machine learning. Machine Learning: Science and Technology 3 (4), 045017 (2022).

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Ilyakov, I., N. Agarwal, J.-C. Deinert, J. Liu, A. Yaroslavtsev, L. Foglia, G. Kurdi, R. Mincigrucci, E. Principi, G. Jakob, M. Kläui, T. Seifert, T. Kampfrath, S. Kovalev, R.E. Carley, A.O. Scherz und M. Gensch: Terahertz-wave decoding of femtosecond extreme-ultraviolet light pulses. Optica 9 (5), 545–550 (2022).

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Javed, H., A. Knop-Gericke und R.V. Mom: Structural Model for Transient Pt Oxidation during Fuel Cell Start-up Using Electrochemical X-ray Photoelectron Spectroscopy. ACS Applied Materials and Interfaces 14 (31), 36238–36245 (2022).

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Jiménez-Cavero, P., O. Gückstock, L. Nadvornik, I. Lucas, T. Seifert, M. Wolf, R. Rouzegar, P.W. Brouwer, S. Becker, G. Jakob, M. Kläui, C. Guo, C. Wan, X. Han, Z. Jin, H. Zhao, D. Wu, L. Morellón und T. Kampfrath: Transition of laser-induced terahertz spin currents from torque- to conduction-electron-mediated transport. Physical Review B 105 (18), 184408 (2022).

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Junker, B., M. Favaro, D.E. Starr, M. Hävecker, U. Weimar und N. Barsan: NAP-XPS as a new tool for in-situ studies of SMOX gas sensors. Journal of Physics D 55 (6), 064002 (2022).

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Kang, S., C. Im, I. Spanos, K. Ham, A. Lim, T. Jacob, R. Schlögl und J. Lee: Durable Nickel-Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts through Surface Functionalization with Tetraphenylporphyrin. Angewandte Chemie International Edition 61 (51), e202214541 (2022).

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Kang, S., C. Im, I. Spanos, K. Ham, A. Lim, T. Jacob, R. Schlögl und J. Lee: Durable Nickel-Iron (Oxy)hydroxide Oxygen Evolution Electrocatalysts through Surface Functionalization with Tetraphenylporphyrin. Angewandte Chemie 134 (51), e202214541 (2022).

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Karra, M., M.T. Cretu, B. Friedrich, S. Truppe, G. Meijer und J. Pérez-Ríos: Dynamics of translational and rotational thermalization of AlF molecules via collisions with cryogenic helium. Physical Review A 105 (2), 022808 (2022).

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Karslıoğlu, O., L. Trotochaud, F. Salmassi, E.M. Gullikson, A. Shavorskiy, S. Nemšák und H. Bluhm: Prospects for the expansion of standing wave ambient pressure photoemission spectroscopy to reactions at elevated temperatures. Journal of Vacuum Science and Technology A 40 (1), 013207 (2022).

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Kastirke, G., F. Ota, D.V. Rezvan, M.S. Schöffler, M. Weller, J. Rist, R. Boll, N. Anders, T.M. Baumann, S. Eckart, B. Erk, A.D. Fanis, K. Fehre, A. Gatton, S. Grundmann, P. Grychtol, A. Hartung, M. Hofmann, M. Ilchen, C. Janke, M. Kircher, M. Kunitski, X. Li, T. Mazza, N. Melzer, J. Montano, V. Music, G. Nalin, Y. Ovcharenko, A. Pier, N. Rennhack, D.E. Rivas, R. Dörner, D. Rolles, A. Rudenko, P. Schmidt, J. Siebert, N. Strenger, D. Trabert, I. Vela-Perez, R. Wagner, T. Weber, J.B. Williams, P. Ziolkowski, L.P.H. Schmidt, A. Czasch, Y. Tamura, N. Hara, K. Yamazaki, K. Hatada, F. Trinter, M. Meyer, K. Ueda, P.V. Demekhin und T. Jahnke: Investigating charge-up and fragmentation dynamics of oxygen molecules after interaction with strong X-ray free-electron laser pulses. Physical Chemistry Chemical Physics 24 (44), 27121–27127 (2022).

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Kathan, M., S. Crespi, N.O. Thiel, D.L. Stares, D. Morsa, J. de Boer, G. Pacella, T. van den Enk, P. Kobauri, G. Portale, C.A. Schalley und B.L. Feringa: A light-fuelled nanoratchet shifts a coupled chemical equilibrium. Nature Nanotechnology 17 (2), 159–165 (2022).

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Keller, E., T. Tsatsoulis, K. Reuter und J. Margraf: Regularized second-order correlation methods for extended systems. The Journal of Chemical Physics 156 (2), 024106 (2022).

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Kelly, S.R., H. Heenen, N. Govindarajan, K. Chan und J.K. Nørskov: OH Binding Energy as a Universal Descriptor of the Potential of Zero Charge on Transition Metal Surfaces br. The Journal of Physical Chemistry C 126 (12), 5521–5528 (2022).

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Kenmoe, S., D.H. Douma, A.T. Raji, B. M’Passi-Mabiala, T. Götsch, F. Girgsdies, A. Knop-Gericke, R. Schlögl und E. Spohr: X-ray Absorption Near-Edge Structure (XANES) at the O K-Edge of Bulk Co₃O₄: Experimental and Theoretical Studies. Nanomaterials 12 (6), 921 (2022).

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Khanna, V., R. Singh, P. Claes, M.T. Nguyen, A. Fielicke, E. Janssens, P. Lievens und J.E. McGrady: Evolution of Vibrational Spectra in the Manganese-Silicon Clusters Mn₂Si_n, n = 10, 12, and 13, and Cationic [Mn₂Si₁₃]⁺. The Journal of Physical Chemistry A 126 (10), 1617–1626 (2022).

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Khare, R., R. Weindl, A. Jentys, K. Reuter, H. Shi und J.A. Lercher: Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides. JACS Au 2 (3), 613–622 (2022).

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Khuu, T., S.J. Stropoli, K. Greis, N. Yang und M.A. Johnson: Microhydration of the metastable N-Protomer of 4-Aminobenzoic acid by condensation at 80 K: H/D exchange without conversion to the more stable O-protomer. The Journal of Chemical Physics 157 (13), 131102 (2022).

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Kim, J.Y., S. Chae, W. Jang, Q.A. Besford, J.Y. Oh und T.I. Lee: Antioxidant Triggered Metallic 1T’ Phase Transformations of Chemically Exfoliated Tungsten Disulfide (WS₂) Nanosheets. Small 18 (12), 2107557 (2022).

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Kim, L.Y., S. Park, C.Y. Lee, W. Schöllkopf und B.S. Zhao: Enhanced elastic scattering of He₂ and He₃ from solids by multiple-edge diffraction. Physical Chemistry Chemical Physics 24 (36), 21593–21600 (2022).

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Kircher, M., F. Trinter, S. Grundmann, G. Kastirke, M. Weller, I. Vela-Perez, A. Khan, C. Janke, M. Waitz, S. Zeller, T. Mletzko, D. Kirchner, V. Honkimäki, S. Houamer, O. Chuluunbaatar, Y.V. Popov, I.P. Volobuev, M.S. Schöffler, L.P.H. Schmidt, T. Jahnke und R. Dörner: Ion and Electron Momentum Distributions from Single and Double Ionization of Helium Induced by Compton Scattering. Physical Review Letters 128 (5), 053001 (2022).

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Kirschbaum, C., K. Greis, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden und K. Pagel: Cryogenic infrared spectroscopy provides mechanistic insight into the fragmentation of phospholipid silver adducts. Analytical and Bioanalytical Chemistry 414 (18), 5275–5285 (2022).

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Klingenhof, M., P. Hauke, M. Kroschel, X. Wang, T. Merzdorf, C. Binninger, T.N. Thanh, B. Paul, D. Teschner, R. Schlögl und P. Strasser: Anion-Tuned Layered Double Hydroxide Anodes for Anion Exchange Membrane Water Electrolyzers: From Catalyst Screening to Single-Cell Performance. ACS Energy Letters 7 (10), 3415–3422 (2022).

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Zeitschriftenartikel

Kohlmann, M., C. Denker, N. Paßler, J. Kredl, M. Wolf, M. Münzenberg und A. Paarmann: Second harmonic generation from grating-coupled hybrid plasmon–phonon polaritons. Applied Physics Letters 121 (19), 191105 (2022).

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Kölker, A., M. Wolf und M. Koch: Ultra-shallow dopant profiles as in-situ electrodes in scanning probe microscopy. Scientific Reports 12, 3783 (2022).

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Köwitsch, N., S. Barth, K. Ploner, R. Blume, D. Teschner, S. Penner und M. Armbrüster: Properties of Bulk In-Pt Intermetallic Compounds in Methanol Steam Reforming. ChemPhysChem 23 (8), e202200074 (2022).

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Kratzer, P., L. Rettig, I.Y. Sklyadneva, E.V. Chulkov und U. Bovensiepen: Relaxation of photoexcited hot carriers beyond multitemperature models: General theory description verified by experiments on Pb/Si(111). Physical Review Research 4 (3), 033218 (2022).

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Kraus, P., E. Wolf, C. Prinz, G. Bellini, A. Trunschke und R. Schlögl: Towards automation of operando experiments: A case study in contactless conductivity measurements. Digital Discovery 1 (3), 241–254 (2022).

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Kremer, G., J. Maklar, L. Nicolaï, C.W. Nicholson, C. Yue, C. Silva, P. Werner, J.H. Dil, J. Krempaský, G. Springholz, R. Ernstorfer, J. Minár, L. Rettig und C. Monney: Field-induced ultrafast modulation of Rashba coupling at room temperature in ferroelectric α-GeTe(111). Nature Communications 13, 6396 (2022).

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Kube, P., J. Dong, N. Sánchez Bastardo, H. Ruland, R. Schlögl, J. Margraf, K. Reuter und A. Trunschke: Green synthesis of propylene oxide directly from propane. Nature Communications 13, 7504 (2022).

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Kühbach, M.T., A.J. London, J. Wang, D.K. Schreiber, F. Mendez Martin, I. Ghamarian, H. Bilal und A.V. Ceguerra: Community-Driven Methods for Open and Reproducible Software Tools for Analyzing Datasets from Atom Probe Microscopy. Microscopy and Microanalysis 28 (4), 1038–1053 (2022).

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Kühn, S., C. Cheung, N.S. Oreshkina, R. Steinbrügge, M. Togawa, S. Bernitt, L. Berger, J. Buck, M. Hoesch, J. Seltmann, F. Trinter, C.H. Keitel, M.G. Kozlov, S.G. Porsev, M.F. Gu, F.S. Porter, T. Pfeifer, M.A. Leutenegger, Z. Harman, M.S. Safronova, J.R.C. López-Urrutia und C. Shah: New Measurement Resolves Key Astrophysical Fe XVII Oscillator Strength Problem. Physical Review Letters 129 (24), 245001 (2022).

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Zeitschriftenartikel

Kulik, H.J., T. Hammerschmidt, J. Schmidt, S. Botti, M.A.L. Marques, M. Boley, M. Scheffler, M. Todorović, P. Rinke, C. Oses, A. Smolyanyuk, S. Curtarolo, A. Tkatchenko, A.P. Bartók, S. Manzhos, M. Ihara, T. Carrington, J. Behler, O. Isayev, M. Veit, A. Grisafi, J. Nigam, M. Ceriotti, K.T. Schütt, J. Westermayr, M. Gastegger, R.J. Maurer, B. Kalita, K. Burke, R. Nagai, R. Akashi, O. Sugino, J. Hermann, F. Noé, S. Pilati, C. Draxl, M. Kuban, S. Rigamonti, M. Scheidgen, M. Esters, D. Hicks, C. Toher, P.V. Balachandran, I. Tamblyn, S. Whitelam, C. Bellinger und L.M. Ghiringhelli: Roadmap on Machine learning in electronic structure. Electronic Structure 4 (2), 023004 (2022).

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Langer, M.F., A. Goeßmann und M. Rupp: Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. npj Computational Materials 8, 41 (2022).

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Zeitschriftenartikel

Lee, C., M. Pohl, I.A. Ramphal, W. Yang, B. Winter und B. Abel: Evaporation and Molecular Beam Scattering from a Flat Liquid Jet. The Journal of Physical Chemistry A 126 (21), 3373–3383 (2022).

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Lee, J.H., J. Bischoff, A.O. Hernandez-Castillo, B.G. Sartakov, G. Meijer und S. Eibenberger Arias: Quantitative study of enantiomer-specific state transfer. Physical Review Letters 128 (17), 173001 (2022).

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Lee, S.-E., Y.W. Windsor, A. Fedorov, K. Kliemt, C. Krellner, C. Schüßler-Langeheine, N. Pontius, M. Wolf, U. Atxitia, D.V. Vyalikh und L. Rettig: Robust Magnetic Order Upon Ultrafast Excitation of an Antiferromagnet. Advanced Materials Interfaces 9 (36), 2201340 (2022).

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Lee, Y., C. Scheurer und K. Reuter: Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen Evolution. ChemSusChem 15 (10), e202200015 (2022).

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Levin, N., J. Margraf, J. Lengyel, K. Reuter, M. Tschurl und U. Heiz: CO₂-Activation by size-selected tantalum cluster cations (Ta_1–16⁺): thermalization governing reaction selectivity. Physical Chemistry Chemical Physics 24 (4), 2623–2629 (2022).

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Li, A., P. Nan, Y. Wang, Z. Gao, S. Zhang, Z.-K. Han, X. Zhao, B. Ge, C. Fu und T. Zhu: Chemical stability and degradation mechanism of Mg₃Sb_2-xBi_x thermoelectrics towards room-temperature applications. Acta Materialia 239, 118301 (2022).

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Li, C., W. Ju, S. Vijay, J. Timoshenko, K. Mou, D.A. Cullen, J. Yang, X. Wang, P. Pachfule, S. Brückner, H. Jeon, F. Haase, S.-C. Tsang, C. Rettenmaier, K. Chan, B. Roldan Cuenya, A. Thomas und P. Strasser: Covalent Organic Framework (COF) derived Ni-N-C Catalysts for Electrochemical CO₂ Reduction: Unraveling Fundamental Kinetic and Structural Parameters of the Active Sites. Angewandte Chemie International Edition 61 (15), e202114707 (2022).

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Zeitschriftenartikel

Li, C., W. Ju, S. Vijay, J. Timoshenko, K. Mou, D.A. Cullen, J. Yang, X. Wang, P. Pachfule, S. Brückner, H. Jeon, F. Haase, S.-C. Tsang, C. Rettenmaier, K. Chan, B. Roldan Cuenya, A. Thomas und P. Strasser: Covalent Organic Framework (COF) derived Ni-N-C Catalysts for Electrochemical CO₂ Reduction: Unraveling Fundamental Kinetic and Structural Parameters of the Active Sites. Angewandte Chemie 134 (15), e202114707 (2022).

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Zeitschriftenartikel

Li, H. und K. Reuter: Ab Initio Thermodynamic Stability of Carbide Catalysts under Electrochemical Conditions. ACS Catalysis 12 (16), 10506–10513 (2022).

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Li, M., M. Tang, H. Dai, T. He und Z. Wang: A binder-free, well-integrated metal–organic frameworks@polypyrrole nanofilm electrocatalyst for highly efficient and selective reduction of carbon dioxide. Materials Today Energy 30, 101140 (2022).

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Li, X., A. Rudenko, T. Mazza, A. Rörig, N. Anders, T.M. Baumann, S. Eckart, B. Erk, A.D. Fanis, K. Fehre, R. Dörner, L. Foucar, S. Grundmann, P. Grychtol, A. Hartung, M. Hofmann, M. Ilchen, C. Janke, G. Kastirke, M. Kircher, K. Kubicek, M. Kunitski, S. Meister, N. Melzer, J. Montano, V. Music, G. Nalin, Y. Ovcharenko, C. Passow, A. Pier, N. Rennhack, J. Rist, D.E. Rivas, I. Schlichting, L.P.H. Schmidt, P. Schmidt, M.S. Schöffler, J. Siebert, N. Strenger, D. Trabert, F. Trinter, I. Vela-Perez, R. Wagner, P. Walter, M. Weller, P. Ziolkowski, A. Czasch, M. Meyer, T. Jahnke, D. Rolles und R. Boll: Resonance-enhanced x-ray multiple ionization of a polyatomic molecule. Physical Review A 105 (5), 053102 (2022).

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