Publications of Karsten Reuter
All genres
Journal Article (318)
2022
Journal Article
K. Reuter, and : Di- and Tetrameric Molybdenum Sulfide Clusters Activate and Stabilize Dihydrogen as Hydrides. , , , JACS Au 2 (3), 613–622 (2022).
Journal Article
C. Staacke, S. Wengert, C. Kunkel, , K. Reuter and J. Margraf: Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Machine Learning: Science and Technology 3 (1), 015032 (2022).
Journal Article
R. Dupuy, , C. Richter, , F. Trinter, T. Buttersack, , , U. Hergenhahn, , B. Winter, K. Reuter and H. Bluhm: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 24 (8), 4796–4808 (2022).
Journal Article
J. Margraf, , and K. Reuter: Heterogeneous Catalysis in Grammar School. The Journal of Physical Chemistry C 126 (6), 2931–2936 (2022).
Journal Article
J. Margraf, , K. Reuter, and : CO2-Activation by size-selected tantalum cluster cations (Ta1–16+): thermalization governing reaction selectivity. , Physical Chemistry Chemical Physics 24 (4), 2623–2629 (2022).
Journal Article
E. Keller, T. Tsatsoulis, K. Reuter and J. Margraf: Regularized second-order correlation methods for extended systems. The Journal of Chemical Physics 156 (2), 024106 (2022).
Journal Article
K. Reuter and : Piecewise Multipole-Expansion Implicit Solvation for Arbitrarily Shaped Molecular Solutes. , Journal of Chemical Theory and Computation 18 (1), 461–478 (2022).
Journal Article
K. Reuter, and : Unconventional direct synthesis of Ni3N/Ni with N-vacancies for efficient and stable hydrogen evolution. , , , , , , , , , , , , , Energy & Environmental Science 15 (1), 185–195 (2022).
2021
Journal Article
J. Timmermann, Y. Lee, C. Staacke, J. Margraf, and K. Reuter: Data-Efficient Iterative Training of Gaussian Approximation Potentials: Application to Surface Structure Determination of Rutile IrO2 and RuO2. The Journal of Chemical Physics 155 (24), 244107 (2021).
Journal Article
C. Staacke, H. Heenen, C. Scheurer, , K. Reuter and J. Margraf: On the Role of Long-Range Electrostatics in Machine-Learned Interatomic Potentials for Complex Battery Materials. ACS Applied Energy Materials 4 (11), 12562–12569 (2021).
Journal Article
A. Dávila López, T. Eggert, K. Reuter and N. Hörmann: Static and dynamic water structures at interfaces: A case study with focus on Pt(111). The Journal of Chemical Physics 155 (19), 194702 (2021).
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K. Reuter and : In situ kinetic studies of CVD graphene growth by reflection spectroscopy. , , , , Chemical Engineering Journal 421 (1), 129434 (2021).
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K. Reuter and : Core Electron Binding Energies in Solids from Periodic All-Electron Δ-Self-Consistent-Field Calculations. , , , The Journal of Physical Chemistry Letters 12 (38), 9353–9359 (2021).
Journal Article
H. Türk, F. Schmidt, T. Götsch, F. Girgsdies, A. Hammud, D. Ivanov, , , , K. Reuter, R. Schlögl, A. Knop-Gericke, C. Scheurer and T. Lunkenbein: Complexions at the Electrolyte/Electrode Interface in Solid Oxide Cells. Advanced Materials Interfaces 8 (18), 2100967 (2021).
Journal Article
K. Reuter and : Surface-Mediated Ring-Opening and Porphyrin Deconstruction via Conformational Distortion. , , , , , Journal of the American Chemical Society 143 (37), 15131–15138 (2021).
Journal Article
S. Wengert, , , K. Reuter, and C. Scheurer: Nano-Scale Complexions Facilitate Li Dendrite-Free Operation in LATP Solid-State Electrolyte. , , , , , , Advanced Energy Materials 11 (26), 2100707 (2021).
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N. Hörmann and K. Reuter: Thermodynamic cyclic voltammograms: peak positions and shapes. Journal of Physics: Condensed Matter 33 (26), 264004 (2021).
Journal Article
K. Reuter, , , and : Real-Time Multiscale Monitoring and Tailoring of Graphene Growth on Liquid Copper. , , , , , , , , , ACS Nano 15 (6), 9638–9648 (2021).
Journal Article
K. Chen, J. Margraf, and K. Reuter: Subgroup Discovery Points to the Prominent Role of Charge Transfer in Breaking Nitrogen Scaling Relations at Single-Atom Catalysts on VS2. , , ACS Catalysis 11 (13), 7906–7914 (2021).