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Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not2020 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access
Egidius W. F. Smeets, Stefan Vuckovic, Katharina Doblhoff-Dier, Geert–Jan Kroes
86citations -
Understanding the role of acidity on the surface exchange reaction in mixed conductors: what is the effect of surface hydration?2025 Journal of Materials Chemistry A article Materials Science Advancements in Solid Oxide Fuel Cells Open access
David M. Schwenkel, Roger A. De Souza, George Frederick Harrington
11citations -
Data from ''From Small-Area Observations to Insight: Surface-Feature-Extrapolation of Anodes for Alkaline Oxygen Evolution Reaction''2024 Zenodo (CERN European Organization for Nuclear Research) dataset Energy Electrocatalysts for Energy Conversion Open access
Adarsh Jain, Vineetha Vinayakumar, André Olean‐Oliveira, Christian Marcks, Mohit Chatwani, Anna K. Mechler, +2 more
0citations -
Data from ''From Small-Area Observations to Insight: Surface-Feature-Extrapolation of Anodes for Alkaline Oxygen Evolution Reaction''2024 Zenodo (CERN European Organization for Nuclear Research) dataset Energy Electrocatalysts for Energy Conversion Open access
Adarsh Jain, Vineetha Vinayakumar, André Olean‐Oliveira, Christian Marcks, Mohit Chatwani, Anna K. Mechler, +2 more
0citations -
Elucidating the mechanism of the CO 2 methanation reaction over Ni–Fe hydrotalcite-derived catalysts via surface-sensitive in situ XPS and NEXAFS2020 Physical Chemistry Chemical Physics article Chemical Engineering Catalysts for Methane Reforming Open access
Gianfranco Giorgianni, Chalachew Mebrahtu, Manfred Erwin Schuster, Alexander I. Large, Georg Held, Pilar Ferrer, +7 more
41citations -
Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation2024 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Chemical Physics Studies Open access
Yuxiang Cai, Roel Michiels, Federica De Luca, Erik Cornelis Neyts, Xin Cheng Tu, Annemie Bogaerts, +1 more
9citations -
How microstructures, oxide layers, and charge transfer reactions influence double layer capacitances. Part 1: impedance spectroscopy and cyclic voltammetry to estimate electrochemically active surface areas (ECSAs)2023 Physical Chemistry Chemical Physics article Energy Electrocatalysts for Energy Conversion Open access
Maximilian Schalenbach, Victor Selmert, Ansgar Kretzschmar, Luc H.J. Raijmakers, Yasin Emre Durmus, Hermann Tempel, +1 more
78citations