Publications of Karsten Reuter
All genres
Journal Article (344)
Journal Article
H. Heenen, H.S. Pillai, K. Reuter and V.J. Bukas: Exploring mesoscopic mass transport effects on electrocatalytic selectivity. Nature Catalysis, in press.
Journal Article
C. Kunkel, , 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).
Journal Article
L. Masliuk, 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).
Journal Article
H. Oschinski, N. Hörmann and K. Reuter: Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials. The Journal of Chemical Physics 160 (23), 214706 (2024).
Journal Article
, H. Gao, H. Heenen, , , , , J. Margraf, , , , , K. Reuter and : Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper During Chemical Vapor Deposition. ACS Nano 18 (19), 12503–12511 (2024).
Journal Article
N. Hörmann, 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).
Journal Article
, , Y.-T. Chan, C. Scheurer, K. Reuter, and : Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials 7 (6), 2392–2404 (2024).
Journal Article
W. Xu, E. Diesen, , K. Reuter and J. Margraf: Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization. Journal of the American Chemical Society 146 (11), 7698–7707 (2024).
Journal Article
, , G.S. Michelitsch, K. Reuter, , and : Adsorption, Single-Molecule Manipulation, and Self-Assembly of Borazine on Ag(111). Advanced Materials Interfaces 11 (4), 2300774 (2024).
Journal Article
L. Sandoval Diaz, D. Cruz, M. Vuijk, G. Ducci, M. Hävecker, W. Jiang, M. Plodinec, A. Hammud, D. Ivanov, T. Götsch, K. Reuter, R. Schlögl, C. Scheurer, A. Knop-Gericke and T. Lunkenbein: Metastable nickel-oxygen species modulate rate oscillations during dry reforming of methane. Nature Catalysis 7, 161–171 (2024).
Journal Article
N. Bergmann, N. Hörmann and K. Reuter: Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions. Journal of Chemical Theory and Computation 19 (23), 8815–8825 (2023).
Journal Article
S. Beinlich, , K. Reuter and N. Hörmann: Controlled Electrochemical Barrier Calculations without Potential Control. Journal of Chemical Theory and Computation 19 (22), 8323–8331 (2023).
Journal Article
T. Eggert, N. Hörmann and K. Reuter: Cavity formation at metal-water interfaces. The Journal of Chemical Physics 159 (19), 194702 (2023).
Journal Article
O.V. Vinogradova, K. Reuter and V.J. Bukas: Trends of Pd3Au(111) Alloy Surface Segregation in Oxygen, Carbon, and Nitrogen Environments. The Journal of Physical Chemistry C 127 (45), 22060–22066 (2023).
Journal Article
, , , , , , K. Reuter, and : Unlocking the performance of ternary metal (hydro)oxide amorphous catalysts via data-driven active-site engineering. Energy & Environmental Science 16 (11), 5065–5075 (2023).
Journal Article
S. Stocker, H. Jung, , C.F. Goldsmith, K. Reuter and J. Margraf: Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of Chemical Theory and Computation 19 (19), 6796–6804 (2023).
Journal Article
, S. Wengert, , H. Heenen, K. Reuter, and : wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows. The Journal of Chemical Physics 159 (12), 124801 (2023).
Journal Article
A. Dudzinski, E. Diesen, H. Heenen, V.J. Bukas and K. Reuter: First Step of the Oxygen Reduction Reaction on Au(111): A Computational Study of O2 Adsorption at the Electrified Metal/Water Interface. ACS Catalysis 13 (18), 12074–12081 (2023).
Journal Article
R. Dupuy, , C. Richter, , F. Trinter, T. Buttersack, , , U. Hergenhahn, , B. Winter, K. Reuter and H. Bluhm: Correction: Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid-vapor interface. Physical Chemistry Chemical Physics 25 (33), 22538–22538 (2023).