The Facet Dependence of CO₂ Electroreduction Selectivity on a Pd₃Au Bimetallic Catalyst: A DFT Study.

ABSTRACT: The electrochemical carbon dioxide reduction reaction (CO₂RR) has emerged as a promising approach to addressing global energy and environmental challenges. Alloys are of particular importance in these applications due to their unique chemical and physical properties. In this study, the possible mechanism of the C1 products from the electrochemical reduction of CO₂ on four different surfaces of Pd₃Au alloy bimetallic catalysts is predicted using the density functional theory. The differences in the number of d-band electrons and the charge distribution and morphology of the different surfaces result in differing catalytic activity and selectivity on the same surface. On different surfaces, Pd₃Au alloy bimetallic catalysts have different potential

SUBMITTER: Zheng M 

PROVIDER: S-EPMC10095644 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature