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O: Fachverband Oberflächenphysik

O 119: Oxides III: Single-Atom Catalysis, Iron Oxides

O 119.1: Hauptvortrag

Freitag, 20. März 2020, 10:30–11:00, REC C 213

theoretical studies on the state and fate of single atom catalysts: from hydroformylation to CO oxidation — •Felix Studt — Karlsruhe Institute of Technology, Institute of Catalysis Research and Technology, Eggenstein-Leopoldshafen, Germany

Single atom catalysts (SAC) are attracting widespread attention as they promise the highest achievable atom efficiency in heterogeneously catalyzed reactions. Herein, we show theoretical calculations of the state, stability and activity of SAC supported on different oxide surfaces for the hydroformylation reaction and evaluate differences between the homogeneous catalysts that are used nowadays. Additionally, we use quantum chemical calculations to reveal the reaction mechanism of SAC for a highly selective tandem olefin isomerization-hydrosilylation process. Finally, we will show how the stability of Pt single atoms supported on ceria depend on reaction conditions and how their state relates to CO oxidation activity.