Li‐Kai Yan

Catalytic Mechanism of CO2 Reduction by Keggin-Type Transition-Metal-Substituted Polyoxometalates

Abstract The mechanisms of carbon dioxide reduction catalyzed by Keggin-type transition-metal-substituted polyoxometalates (TMSPOMs) have been studied by density functional theory calculations. CO2 is sufficiently activated via side-on adsorption in which the one oxygen and carbo...