2D carbon nitride as a support with single Cu, Ag, and Au atoms for carbon dioxide reduction reaction.

ABSTRACT: The electrochemical conversion of CO₂ into value-added chemicals is an important approach to recycling CO₂. In this work, we have combined the most efficient metal catalysts for this reaction, namely Cu, Ag, and Au, as single-atom particles dispersed on a two-dimensional carbon nitride support, with the aim of exploring their performance in the CO₂ reduction reaction. Here, we report density functional theory computations showing the effect of single metal-atom particles on the support. We found that bare carbon nitride needed a high overpotential to overcome the energy barrier for the first proton-electron transfer, while the second transfer was exergonic. The deposition of single metal atoms enhances the catalytic activity of the system as the first proto

SUBMITTER: Posada-Perez S 

PROVIDER: S-EPMC10277901 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature