Single-atom catalysts for CO₂ electroreduction with significant activity and selectivity improvements.

ABSTRACT: A single-atom catalyst (SAC) has an electronic structure that is very different from its bulk counterparts, and has shown an unexpectedly high specific activity with a significant reduction in noble metal usage for CO oxidation, fuel cell and hydrogen evolution applications, although physical origins of such performance enhancements are still poorly understood. Herein, by means of density functional theory (DFT) calculations, we for the first time investigate the great potential of single atom catalysts for CO₂ electroreduction applications. In particular, we study a single transition metal atom anchored on defective graphene with single or double vacancies, denoted M@sv-Gr or M@dv-Gr, where M = Ag, Au, Co, Cu, Fe, Ir, Ni, Os, Pd, Pt, Rh or Ru, as a CO₂ reduction cata

SUBMITTER: Back S 

PROVIDER: S-EPMC5369399 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature