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.

Supplementary files

Article information

Article type
Communication
Submitted
11 Oct 2024
Accepted
30 Dec 2024
First published
31 Dec 2024

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript

The Volcanic Relationship of Model Molecular Catalysts in CO2 Reduction Reaction

J. Wang, Y. Xu, A. Wei, J. S. Reinhold, L. Wei, L. Shi, Y. Zhang, S. Liu, C. Wang and B. Zhang, Phys. Chem. Chem. Phys., 2024, Accepted Manuscript , DOI: 10.1039/D4CP03912B

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