Electronic Structure of Rh and Ir Single Atom Catalysts Supported on Defective and Doped ZnO: Assessment of Their Activity Towards CO Oxidation

Electronic Structure of Rh and Ir Single Atom Catalysts Supported on Defective and Doped ZnO: Assessment of Their Activity Towards CO Oxidation

This study investigated the electronic structure of single-atom Rhodium (Rh) and Iridium (Ir) adsorbed on defective and impurity-doped ZnO(0001) surfaces, and assessed their activity towards the CO oxidation reaction. Our findings reveal that surface impurities significantly influence the binding en...

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Bibliographic Details
Main Authors: Arda Erbasan, Hande Ustunel, Daniele Toffoli
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Molecules
Subjects:
density functional theory
single atom catalysis
CO activation
O<sub>2</sub> activation
oxidation reaction
Online Access:https://www.mdpi.com/1420-3049/29/21/5082
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