SKM 2023 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 52: Heterogeneous Catalysis and Surface Dynamics I

Mittwoch, 29. März 2023, 10:30–12:45, TRE Phy

10:30 O 52.1 In-situ spectro-microscopy of single PtRh nanoparticles during oxidation — •Jagrati Dwivedi, Lydia Bachmann, Arno Jeromin, Liviu C. Tănase, Aarti Tiwari, Lucas Caldas, Thomas Schmidt, Thomas F. Keller, Beatriz Roldán Cuenya, and Andreas Stierle
10:45 O 52.2 Probing Au(111) Surface Reconstruction by Electrocatalytic Reactions — •Johannes M. Hermann, Areeg Abdelrahman, Ludwig A. Kibler, and Timo Jacob
11:00 O 52.3 Transition metal carbides vs platinum as catalysts for H2 dissociation and hydrogenation of ethylene and acetylene — •Carlos Jimenez-Orozco, Elizabeth Florez, and Jose Rodriguez
11:15 O 52.4 Topical Talk: Modeling and Design of Single-Atom Alloy CatalystsRaffaele Cheula and •Mie Andersen
11:45 O 52.5 Data-centric approach for uncovering rules to describe the CO2 activation at metal catalysts — •Herzain I. Rivera-Arrieta, Lucas Foppa, and Matthias Scheffler
12:00 O 52.6 Machine learning interatomic potential for metallic and oxidized copper surfaces — •Felix Riccius, Nicolas Bergmann, Nicolas G. Hörmann, Hendrik H. Heenen, and Karsten Reuter
12:15 O 52.7 Selectivity Trends and Role of Adsorbate–Adsorbate Interactions in CO Hydrogenation on Rhodium Catalysts — •Martin Deimel, Hector Prats, Michael Seibt, Karsten Reuter, and Mie Andersen
12:30 O 52.8 Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Sampling — •Sina Stocker, Gábor Csányi, Karsten Reuter, and Johannes T. Margraf
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