Efficient electrocatalytic reduction of carbon dioxide by metal-doped β₁₂-borophene monolayers.

ABSTRACT: Electrochemical reduction of CO₂ 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_β12 monolayers as catalysts for electrochemical reduction of CO₂. The results show that the TM-B_β12 monolayer structure has excellent catalytic stability and electrocatalytic selectivity. The primary reduction product of Sc-B_β12 is CO and the overpotential is 0.45 V. The primary reduction product of the remaining metals (Ti-Zn) is CH₄, where Fe-

SUBMITTER: Liu JH 

PROVIDER: S-EPMC9070772 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature