Exploring the mechanistic role of alloying elements in copper-based electrocatalysts for the reduction of carbon dioxide to methane.

ABSTRACT: The promise of electrochemically reducing excess anthropogenic carbon dioxide into useful chemicals and fuels has gained significant interest. Recently, indium-copper (In-Cu) alloys have been recognized as prospective catalysts for the carbon dioxide reduction reaction (CO₂RR), although they chiefly yield carbon monoxide. Generating further reduced C₁ species such as methane remains elusive due to a limited understanding of how In-Cu alloying impacts electrocatalysis. In this work, we investigated the effect of alloying In with Cu for CO₂RR to form methane through first-principles simulations. Compared with pure copper, In-Cu alloys suppress the hydrogen evolution reaction while demonstrating superior initial CO₂RR selectivity. Among the alloys s

SUBMITTER: Hao M 

PROVIDER: S-EPMC10440379 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature