SKM 2023 –
wissenschaftliches Programm
O 52: Heterogeneous Catalysis and Surface Dynamics I
Mittwoch, 29. März 2023, 10:30–12:45, TRE Phy
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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
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10:45 |
O 52.2 |
Probing Au(111) Surface Reconstruction by Electrocatalytic Reactions — •Johannes M. Hermann, Areeg Abdelrahman, Ludwig A. Kibler, and Timo Jacob
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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
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11:15 |
O 52.4 |
Topical Talk:
Modeling and Design of Single-Atom Alloy Catalysts — Raffaele Cheula and •Mie Andersen
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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
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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
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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
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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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