Atomic Design of Copper Active Sites in Pristine Metal-Organic Coordination Compounds for Electrocatalytic Carbon Dioxide Reduction

Abstract

Electrocatalytic carbon dioxide reduction reaction (CO₂RR) has emerged as a promising and sustainable approach to cut carbon emissions by converting greenhouse gas CO₂ to value-added chemicals and fuels. Metal-organic coordination compounds, especially the copper (Cu)-based coordination compounds, which feature well-defined crystalline structures and designable metal active sites, have attracted much research attention in electrocatalytic CO₂RR. Herein, the recent advances of electrochemical CO₂RR on pristine Cu-based coordination compounds with different types of Cu active sites are reviewed. First, the general reaction pathways of electrocatalytic CO₂RR on Cu-based coordination compounds are briefly introduced. Then the highly efficient conversion of CO₂ on various kinds of Cu active sites (e.g., single-Cu site, dimeric-Cu site, multi-Cu site, and heterometallic site) is systematically discussed, along with the corresponding catalytic reaction mechanisms. Finally, some existing challenges and potential opportunities for this research direction are provided to guide the rational design of metal-organic coordination compounds for their practical application in electrochemical CO₂RR.

Keywords: active site; atomic design; carbon dioxide reduction reaction; electrocatalysis; metal–organic coordination compounds.