Abstract:Molecular electrocatalysts for CO2‐to‐CO conversion often operate at large overpotentials, due to the large barrier for C−O bond cleavage. Illustrated with ruthenium polypyridyl catalysts, we herein propose a mechanistic route that involves one metal center that acts as both Lewis base and Lewis acid at different stages of the catalytic cycle, by density functional theory in corroboration with experimental FTIR. The nucleophilic character of the Ru center manifests itself in the initial attack on CO2 to form [… Show more
“…[157][158][159][160][161] With changes in the type of metal or ligand environment, the electronic structure and properties of the metal center will also change. 162,163 SACs have shown excellent performances as a link between homogeneous and heterogeneous catalysts in the electrochemical CO 2 RR. GDY has significant electrocatalytic potential and can contribute to CO 2 electrocatalysis.…”
Single-atom catalysts (SACs) have attracted significant attention because of their high atomic efficiency and unique catalytic performance for various catalytic reactions. As a two-dimensional (2D) layered structure, Graphdiyne (GDY) is...
“…[157][158][159][160][161] With changes in the type of metal or ligand environment, the electronic structure and properties of the metal center will also change. 162,163 SACs have shown excellent performances as a link between homogeneous and heterogeneous catalysts in the electrochemical CO 2 RR. GDY has significant electrocatalytic potential and can contribute to CO 2 electrocatalysis.…”
Single-atom catalysts (SACs) have attracted significant attention because of their high atomic efficiency and unique catalytic performance for various catalytic reactions. As a two-dimensional (2D) layered structure, Graphdiyne (GDY) is...
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