Recent progress in mechanistic insights into cation effects on electrochemical CO2 reduction reactions

Abstract

The impact of cations in the local reaction environment has garnered attention as a crucial factor in tailoring the selectivity of CO₂ reduction, although the mechanism remains under debate. Understanding these cation effects through first-principles computations can facilitate the design of efficient reaction networks and gas diffusion layers in electrolyzers. In this minireview, the latest insights into cation effects on CO₂ reduction reactions are presented, covering aspects such as tuning the interfacial electric field, coordinating reaction intermediates, altering the interfacial water structure, and modulating local CO₂ concentration and pH. Future research directions in this area are also discussed.