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SKM 2023 – scientific programme

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O: Fachverband Oberflächenphysik

O 78: Heterogeneous Catalysis and Surface Dynamics II

Thursday, March 30, 2023, 10:30–12:45, TRE Phy

10:30 O 78.1 Data-centric heterogeneous catalysis: identifying rules and materials genes of alkane selective oxidation — •Lucas Foppa, Frederik Rüther, Michael Geske, Gregor Koch, Frank Girgsdies, Pierre Kube, Spencer J. Carey, Michael Hävecker, Olaf Timpe, Andrey Tarasov, Matthias Scheffler, Frank Rosowski, Robert Schlögl, and Annette Trunschke
10:45 O 78.2 Adaptive Experimental Designs for the Unsupervised Exploration of Reaction Kinetic Phase Diagrams — •Frederic Felsen, Karsten Reuter, and Christoph Scheurer
11:00 O 78.3 Machine-learning Gaussian Approximation Potentials to discover RuO2 surface reconstructions — •Yonghyuk Lee, Jakob Timmermann, Christoph Scheurer, and Karsten Reuter
11:15 O 78.4 Exploration of IrO2 electrocatalyst deactivation via machine learning potentials — •Hao Wan, Hendrik Heenen, Simon Wengert, Christoph Scheurer, and Karsten Reuter
11:30 O 78.5 Machine Learning Driven Molecular Dynamics Simulation of the M1 Selective Oxidation Catalysts — •Kyeonghyeon Nam, Yonghyuk Lee, Liudmyla Masliuk, Thomas Lunkenbein, Annette Trunschke, Christoph Scheurer, and Karsten Reuter
11:45 O 78.6 Studing of rate-limiting steps on CO2 reduction on ZnO/Cu(111) — •Sina Dortaj and Sebastian Matera
12:00 O 78.7 Identifying materials genes describing selectivity of catalytic CO2 hydrogenation: an AI approach with theoretical and experimental data — •Ray Miyazaki, Kendra Belthle, Harun Tüysüz, Lucas Foppa, and Matthias Scheffler
12:15 O 78.8 Structural and Electronic Properties of Iron Nanoparticles onto Well-Defined Ceria Thin Films — •Lesia Piliai, Mykhailo Vorokhta, Peter Matvija, Tomáš Skála, Ivan Khalakhan, and Iva Matolínová
12:30 O 78.9 In situ characterization of cerium oxide on Au(111) under reducing and oxidizing conditions by low-energy electron microscopy — •Rudi Tschammer, Lars Buß, Carlos Morales, Sanjaya Senanayake, Jens Falta, and Jan Ingo Flege
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