Cu2S Nanoparticle-Modified Copper Hydroxide Nanowire Arrays for Optimized Electrochemical CO2 Reduction Selectivity

A copper-based catalyst exhibits a wide distributionof catalyticproducts in electrochemical CO2 reduction. However, itfaces a grand challenge in reaction selectivity. A deeper understandingis needed regarding the mechanism of its diversified product selectivity.Herein, we design a cuprous sulfide nanoparticle-modified copper hydroxidenanowire array precatalyst by a simple solvothermal method for revealingthe catalytic mechanism of copper-based catalysts in electrochemicalCO(2) reduction. The role of cuprous sulfide nanoparticlemodification in copper hydroxide nanowires on formate formation duringCO(2) reduction is investigated. The intermediate duringCO(2) reduction is altered by sulfur modification, resultingin improvement in formate selectivity. Density functional theory isused to investigate the effect of trace sulfur modification in copperon activity and selectivity toward formate formation. Compared witha pure copper surface, sulfur modification in copper can promote theformation of *OCHO, a key intermediate along the formate pathway.

Automated summary

A copper-based catalyst modified by cuprous sulfide nanoparticles is designed to study the mechanism of copper-based catalysts in electrochemical CO(2) reduction. The study shows that sulfur modification promotes the formation of *OCHO, a key intermediate in the formate pathway, leading to improved formate selectivity.