Structural evolution of a PtRu catalyst in the oxidation of an organic molecule

0542908 - ÚFCH JH 2022 RIV US eng J - Článek v odborném periodiku
Mueller, J. E. - Hoffmannová, Hana - Hiratoko, T. - Krtil, Petr - Jacob, T.
Structural evolution of a PtRu catalyst in the oxidation of an organic molecule.
Journal of Catalysis. Roč. 398, JUN 2021 (2021), s. 89-101. ISSN 0021-9517. E-ISSN 1090-2694
Institucionální podpora: RVO:61388955
Klíčová slova: Alloy catalyst * Bifunctional catalyst * Electrocatalysis * Formate oxidation * Operando
Obor OECD: Physical chemistry
Impakt faktor: 8.047, rok: 2021
Způsob publikování: Omezený přístup

Surface phase diagrams based on density functional theory (DFT) calculations are used to identify stable surface phases present during the oxidation of fuel-cell-relevant organic compounds on Pt-Ru catalysts. The presence of adsorbed CO and O under operando conditions triggers changes in the local structure and composition of the metal alloy's surface. We find that a Ru-rich Pt-Ru surface stabilizes the mixed CO-O adsorbate phases that we expect to be most conducive to stable and efficient catalyst operation. The predicted surface structures and adsorbate coverages are confirmed by operando X-ray absorption spectra (XAS).
Trvalý link: http://hdl.handle.net/11104/0320241