Cation effects on CO₂ reduction catalyzed by single-crystal and polycrystalline gold under well-defined mass transport conditions.

ABSTRACT: The presence of alkali metal cations in the electrolyte substantially affects the reactivity and selectivity of electrochemical carbon dioxide (CO₂) reduction (CO₂R). This study examines the role of cations in CO₂R on single-crystal and polycrystalline Au under controlled mass-transport conditions. It establishes that CO₂ adsorption is the rate-determining step regardless of cation type or surface structure. Density functional theory calculations show that electron transfer occurs to a solvated CO₂-cation complex. A more positive potential of zero charge enhances CO₂R activity only on Au with similar surface coordination. The symmetry factor (β) of the rate-determining step varies with surface structure and cation identity,

SUBMITTER: Cui Z 

PROVIDER: S-EPMC11804923 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature