The volcanic relationship of model phthalocyanine molecular catalysts in the CO2 reduction reaction
- 31 December 2024
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 27 (4) , 1784-1788
Abstract
We have constructed a series of model metal phthalocyanines (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.Keywords
Funding Information
- Fundamental Research Funds for the Central Universities (No. 2572023CT10)
- National Natural Science Foundation of China (No. 22208048, No. 22478067)
- Natural Science Foundation of Heilongjiang Province (No. YQ2022B001)
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