Singe atom Bi decorated copper alloy enables C-C coupling for electrocatalytic reduction of CO2 into C2+ products

Abstract Single atom alloy (SAA) catalysts have been recently exploited for promotion of various heterogeneous catalysis, but it remains unexplored for selective electrocatalytic reduction of carbon dioxide (CO2) into multi-carbon (C2+) products involving C-C coupling. Herein we report a single-atomic Bi decorated Cu alloy (denoted as BiCu-SAA) electrocatalyst that could effectively modulate selectivity of CO2 reduction into C2+ products instead of previous C1 ones. The BiCu-SAA catalyst exhibits remarkably superior selectivity of C2+ products with optimal Faradaic efficiency (FE) of 73.4% compared to the pure copper nanoparticle or Bi nanoparticles-decorated Cu nanocomposites, and its structure and performance can be well maintained at current density of 400 mA cm-2 under the flow cell system. Based on our in-situ characterizations and density functional theory calculations, the BiCu-SAA is found to favor the activation of CO2 and subsequent C-C coupling during the electrocatalytic reaction, as should be responsible for its extraordinary C2+ selectivity.