Breaking scaling relations for efficient CO₂ electrochemical reduction through dual-atom catalysts.

ABSTRACT: The electrochemical reduction of CO₂ offers an elegant solution to the current energy crisis and carbon emission issues, but the catalytic efficiency for CO₂ reduction is seriously restricted by the inherent scaling relations between the adsorption energies of intermediates. Herein, by combining the concept of single-atom catalysts and multiple active sites, we design heteronuclear dual-atom catalysts to break through the stubborn restriction of scaling relations on catalytic activity. Twenty-one kinds of heteronuclear transition-metal dimers are embedded in monolayer C₂N as potential dual-atom catalysts. First-principles calculations reveal that by adjusting the components of dimers, the two metal atoms play the role of carbon adsorption sites and oxygen a

SUBMITTER: Ouyang Y 

PROVIDER: S-EPMC8148381 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature