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Regensburg 2022 – scientific programme

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O: Fachverband Oberflächenphysik

O 62: Surface Reactions and Heterogeneous Catalysis 1

Thursday, September 8, 2022, 10:30–12:45, H4

10:30 O 62.1 Gaussian Approximation Potentials for Surface Catalysis — •Sina Stocker, Gábor Csányi, Karsten Reuter, and Johannes T. Margraf
10:45 O 62.2 Hydrogen adsorption on Pd surfaces and its effect on CO2 activation — •Herzain I. Rivera-Arrieta, Igor Kowalec, Lucas Foppa, Andrew Logsdail, David Willock, and Matthias Scheffler
11:00 O 62.3 Atomic steps as active sites in the Co-catalyzed Fischer-Tropsch synthesis: Evidence from an operando STM study on a stepped model catalyst — •Katharina Golder and Joost Wintterlin
11:15 O 62.4 Predicting Binding Motifs of Complex Adsorbates Using Machine Learning with a Physics-inspired Graph Representation — •Wenbin Xu, Karsten Reuter, and Mie Andersen
11:30 O 62.5 Machine-Learning Driven Global Optimization of Surface Adsorbate Geometries — •Hyunwook Jung, Sina Stocker, Karsten Reuter, and Johannes T. Margraf
11:45 O 62.6 Finding catalyst genes with subgroup discovery — •Aliaksei Mazheika, Yanggang Wang, Rosendo Valero, Francesc Vines, Francesc Illas, Luca M. Ghiringhelli, Sergey V. Levchenko, and Matthias Scheffler
12:00 O 62.7 New catalysts for oxidative-coupling of methane: theoretical search and experimental validation — •Aliaksei Mazheika, Michael Geske, Matthias Mueller, Stephan Schunk, Frank Rosowski, and Ralph Kraehnert
12:15 O 62.8 Selectivity in single-molecule reactions by tip-induced redox chemistry — •Florian Albrecht, Shadi Fatayer, Iago Pozo, Ivano Tavernelli, Jascha Repp, Diego Pena, and Leo Gross
12:30 O 62.9 Abiotic Formation of an Amide Bond via Surface-Supported Direct Carboxyl-Amine Coupling — •Biao Yang, Kaifeng Niu, Felix Haag, Nan Cao, Junjie Zhang, Haiming Zhang, Qing Li, Francesco Allegretti, Jonas Björk, Johannes Barth, and Lifeng Chi
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