The Volcanic Relationship of Model Molecular Catalysts in CO2 Reduction Reaction
Abstract
We have constructed a series of model metal phthalocyanine (MPc) for the carbon dioxide reduction reaction (CO2RR), constructed a volcano relationship through density functional theory (DFT) and experiments, and obtained cobalt phthalocyanine (COPC) at the apex. The volcano diagram is conducive to the screening of catalysts and has a guiding role in the design of catalysts.