Journal Article (200)
2024
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, , , , , , , , , , , , , , , , , , , , , , , , F. Trinter, , , , and : Controlled molecule injector for cold, dense, and pure molecular beams at the European x-ray free-electron laser. Review of Scientific Instruments 95 (11), 113301 (2024).
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Heenen, H., H.S. Pillai, K. Reuter and V.J. Bukas: Exploring mesoscopic mass transport effects on electrocatalytic selectivity. Nature Catalysis, in press.
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, , , and : Propagation of broadband mid-infrared optical pulses in atmosphere. APL Photonics 9 (8), 080801 (2024).
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Hermann, K.: Nanoparticles with cubic symmetry: classification of polyhedral shapes. Journal of Physics: Condensed Matter 36 (4), 045303 (2024).
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Herzog, A., M. Lopez-Luna, H. Jeon, C. Rettenmaier, P. Grosse, A. Bergmann and B. Roldan Cuenya: Operando Raman spectroscopy uncovers hydroxide and CO species enhance ethanol selectivity during pulsed CO2 electroreduction. Nature Communications 15, 3986 (2024).
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Herzog, A., M. Rüscher, H. Jeon, J. Timoshenko, C. Rettenmaier, U. Hejral, E. Davis, F. Haase, D. Kordus, S. Kühl, W. Frandsen, A. Bergmann and B. Roldan Cuenya: Time-resolved operando insights into the tunable selectivity of Cu–Zn nanocubes during pulsed CO2 electroreduction. Energy & Environmental Science 17 (19), 7081–7096 (2024).
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, , C. Richter, R. Dupuy, , H. Oertel, T. Buttersack, , , , , , , , , and H. Bluhm: Compression of a Stearic Acid Surfactant Layer on Water Investigated by Ambient Pressure X-ray Photoelectron Spectroscopy. The Journal of Physical Chemistry B 128 (15), 3755–3763 (2024).
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Hörmann, N., S. Beinlich and K. Reuter: Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry. The Journal of Physical Chemistry C 128 (13), 5524–5531 (2024).
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Hu, X., , M. Schneider, , and C. Baldauf: System-Specific Parameter Optimization for Nonpolarizable and Polarizable Force Fields. Journal of Chemical Theory and Computation 20 (3), 1448–1464 (2024).
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, , , , , , D. Teschner, , , A. Knop-Gericke, and : Cation Effects on the Acidic Oxygen Reduction Reaction at Carbon Surfaces. ACS Energy Letters 9 (4), 1331–1338 (2024).
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Hursán, D., J. Timoshenko, E. Ortega, H. Jeon, M. Rüscher, A. Herzog, C. Rettenmaier, S.W. Chee, A. Martini, D. Koshy and B. Roldan Cuenya: Reversible Structural Evolution of Metal-Nitrogen-Doped Carbon Catalysts During CO2 Electroreduction: An Operando X-ray Absorption Spectroscopy Study. Advanced Materials 36 (4), 2307809 (2024).
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, X. Liu and : Spectroscopic constants from atomic properties: a machine learning approach. Digital Discovery 3 (1), 34–50 (2024).
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, , , F. Trinter, , , , , , , , , , , , , , , , , , , , , , , , , , , , and : Ultrafast nuclear dynamics in double-core-ionized water molecules. Physical Review A 110 (1), 013108 (2024).
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, , , , G.von Helden and : Observation of a core-excited dipole-bound state ∼1 eV above the electron detachment threshold in cryogenically cooled acetylacetonate. The Journal of Chemical Physics 161 (8), 084305 (2024).
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, R. Rouzegar, O. Gückstock, , , , T. Seifert, , , , , T. Kampfrath and : Accessing Ultrafast Spin-Transport Dynamics in Copper Using Broadband Terahertz Spectroscopy. Physical Review Letters 132 (22), 226703 (2024).
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Jones, T., D. Teschner and : Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction. Chemical Reviews 124 (15), 9136–9223 (2024).
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Jung, H., S. Dong, D. Zahn, T. Vasileiadis, H. Seiler, , , V. Taylor, , R. Ernstorfer and Y.W. Windsor: Element-Specific Ultrafast Lattice Dynamics in Monolayer WSe2. Nano Letters 24 (43), 13671–13677 (2024).
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Keller, E., , K. Reuter and J. Margraf: Small basis set density functional theory method for cost-efficient, large-scale condensed matter simulations. The Journal of Chemical Physics 161 (7), 074104 (2024).
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Kießling, R., M. Wolf and A. Paarmann: Spectral narrowing of a phonon resonance in time-domain sum-frequency spectroscopy. Physical Review Research 6 (1), 013066 (2024).
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, , , , W. Schöllkopf and : Comprehensive peak-width analysis in matter-wave diffraction under grazing incidence conditions. Physical Review A 110 (1), 013313 (2024).
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, , , , , W. Schöllkopf and : Diffractive mirrors for neutral-atom matter-wave optics. Faraday Discussions 251, 160–170 (2024).
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, , S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden, and : Structure and Conformation Determine Gas-Phase Infrared Spectra of Detergents. ChemPlusChem 89 (10), e202400340 (2024).
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Kirschbaum, C., K. Greis, A.Y. Torres-Boy, J. Riedel, S. Gewinner, W. Schöllkopf, G. Meijer, G.von Helden and K. Pagel: Studying the Intrinsic Reactivity of Chromanes by Gas-Phase Infrared Spectroscopy. Journal of the American Society for Mass Spectrometry 35 (8), 1950–1958 (2024).
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Kley, C.: In situ nanoscale mapping of electrical and catalytic properties. National Science Review 11, nwae202 (2024).
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, J. Melsheimer, F.C. Jentoft and R. Schlögl: Correction: Optical bands of dodecanuclear compounds H4PVMo11O40∙yH2O with Keggin structure. Semiclassical vibronic model. Physical Chemistry Chemical Physics 26 (5), 4766–4766 (2024).
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Koch, G., G. Bellini, F. Girgsdies, , S. Carey, O. Timpe, T. Götsch, T. Lunkenbein, , A. Tarasov, R. Schlögl and A. Trunschke: Structural Analysis and Redox Properties of Oxygen-“Breathing” A(Mn1–xCux)O3 (A = La, Pr) Perovskites. Chemistry of Materials 36 (11), 5388–5404 (2024).
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Kokott, S., , , C. Carbogno, , , , M. Scheffler and : Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms. The Journal of Chemical Physics 161 (2), 024112 (2024).
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Kordus, D., S. Widrinna, J. Timoshenko, M. Lopez-Luna, C. Rettenmaier, S.W. Chee, E. Ortega, O. Karslıoğlu, S. Kühl and B. Roldan Cuenya: Enhanced Methanol Synthesis from CO2 Hydrogenation Achieved by Tuning the Cu-ZnO Interaction in ZnO/Cu2O Nanocube Catalysts Supported on ZrO2 and SiO2. Journal of the American Chemical Society 146 (12), 8677–8687 (2024).
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, , P. Zeller, , , , , , and : The fate of graphene on copper: Intercalation / de-intercalation processes and the role of silicon. Carbon 226, 119172 (2024).
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, , , , , , , , , U. Hergenhahn and : Orientational anisotropy due to molecular field splitting in sulfur 2p photoemission from CS2 and SF6 - theoretical treatment and application to photoelectron recoil. Physical Chemistry Chemical Physics 26 (32), 21810–21820 (2024).
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Kunkel, C., , F. Felsen, , , , , , C. Scheurer, and K. Reuter: Systematic Exploration of a Multi-Promoter Catalyst Composition Space with Limited Experiments: Non-Oxidative Propane Dehydrogenation to Propylene. ACS Catalysis 14 (11), 9008–9017 (2024).
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, , , , , F. Trinter, , , , , , , , , , , , , , and : Tracing Photoinduced Hydrogen Migration in Alcohol Dications from Time-Resolved Molecular-Frame Photoelectron Angular Distributions. The Journal of Physical Chemistry A 128 (7), 1241–1249 (2024).
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Lai, K.C., , , and : Thermal Shape Stability of fcc Metal Nanocrystals Synthesized with Faceted Nonequilibrium Shapes. The Journal of Physical Chemistry C 128 (17), 7026–7040 (2024).
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Landwehr, F., , , J.J. Navarro, , , M. Heyde, , and B. Roldan Cuenya: N-Heterocyclic Olefins on a Metallic Surface – Adsorption, Orientation and Electronic Influence. Advanced Materials Interfaces 11 (31), 2400378 (2024).
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, G. Valtolina, and : Quantum state manipulation and cooling of ultracold molecules. Nature Physics 20 (5), 702–712 (2024).
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Lee, J.H., E. Abdiha, B.G. Sartakov, G. Meijer and S. Eibenberger Arias: Near-complete chiral selection in rotational quantum states. Nature Communications 15, 7441 (2024).
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Lee, J.H., J. Bischoff, , E. Abdiha, B.G. Sartakov, G. Meijer and S. Eibenberger: The influence of microwave pulse conditions on enantiomer-specific state transfer. New Journal of Physics 26 (3), 033015 (2024).
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Lee, S.-E., Y.W. Windsor, D. Zahn, , , , , , , , , and L. Rettig: Controlling 4 f antiferromagnetic dynamics via itinerant electronic susceptibility. Physical Review Research 6 (4), 043019 (2024).
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, , , , , , , , , , , S.F. Maehrlein, and : Coherent Modulation of Two-Dimensional Moiré States with On-Chip THz Waves. Nano Letters 24 (39), 12156–12162 (2024).
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Li, Z., E. Öztuna, K. Skorupska, , A. Jamshaid, , C. Rohner, , M. Prieto, C. Kunkel, , P. Kube, , A. Dudzinski, F. Girgsdies, S. Wrabetz, W. Frandsen, R. Blume, P. Zeller, , D. Delgado Muñoz, , F. Schmidt, , , , , , , , A. Hammud, J. Kröhnert, A. Trunschke, C. Scheurer, T. Schmidt, T. Lunkenbein, , H. Kuhlenbeck, V.J. Bukas, A. Knop-Gericke, , K. Reuter, B. Roldan Cuenya and R. Schlögl: Rationally Designed Laterally-Condensed-Catalysts Deliver Robust Activity and Selectivity for Ethylene Production in Acetylene Hydrogenation. Nature Communications 15, 10660 (2024).
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Liu, H., L. Bai, A. Bergmann, B. Roldan Cuenya and : Electrocatalytic reduction of nitrogen oxide species to ammonia. Chem 10 (10), 2963–2986 (2024).
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Mader, D., R. Niemann, M. Wolf, S.F. Maehrlein and A. Paarmann: Sum-frequency generation spectro-microscopy in the reststrahlen band of wurtzite-type aluminum nitride. The Journal of Chemical Physics 161 (9), 094706 (2024).
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Martini, A., J. Timoshenko, P. Grosse, C. Rettenmaier, D. Hursán, , H. Jeon, A. Bergmann and B. Roldan Cuenya: Adsorbate Configurations in Ni Single-Atom Catalysts during CO2 Electrocatalytic Reduction Unveiled by Operando XAS, XES, and Machine Learning. Physical Review Letters 133 (22), 228001 (2024).
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Martini, A., J. Timoshenko, M. Rüscher, D. Hursán, M.C.O. Monteiro, E. Liberra and B. Roldan Cuenya: Revealing the structure of the active sites for the electrocatalytic CO2 reduction to Co over Co single atom catalysts using operando XANES and machine learning. Journal of Synchrotron Radiation 31 (4), 741–750 (2024).
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Masliuk, L., K. Nam, , Y. Lee, P. Kube, D. Delgado Muñoz, F. Girgsdies, K. Reuter, R. Schlögl, A. Trunschke, C. Scheurer, and T. Lunkenbein: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), 9018–9033 (2024).
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Meijer, G. and G.von Helden: Metal Monoxide Abundances as a Function of the C/O Ratio. ACS Earth and Space Chemistry 8 (9), 1690–1692 (2024).
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, F. Scholten, , , B. Roldan Cuenya and : Elucidating interfacial parameters of platinum–palladium bulk alloy single crystals. Journal of Materials Chemistry A 12 (25), 15321–15333 (2024).
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, , , , , , , , , , , , , , F. Trinter, , , , , and : Role of the Coulomb Potential in Compton Scattering. Physical Review Letters 133 (18), 183002 (2024).