Efficient electrocatalytic reduction of carbon dioxide by metal-doped β-borophene monolayers.

Electrochemical reduction of CO to value-added chemicals and fuels shows great promise in contributing to reducing the energy crisis and environment problems. This progress has been slowed by a lack of stable, efficient and selective catalysts. In this paper, density functional theory (DFT) was used to study the catalytic performance of the first transition metal series anchored TM-B monolayers as catalysts for electrochemical reduction of CO.