The volcanic relationship of model phthalocyanine molecular catalysts in the CO<sub>2</sub> reduction reaction
We have constructed a series of model metal phthalocyanines (MPc) for the carbon dioxide reduction reaction (CO<sub>2</sub>RR), 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.
Authors
- Anqi Wei (ORCID: https://orcid.org/0000-0002-0285-2974)
- Chong Wang (ORCID: https://orcid.org/0000-0003-0969-3301)
- Yushuo Zhang (ORCID: https://orcid.org/0009-0001-2939-5953)
- Jiangfang Wang
- Bo Zhang (ORCID: https://orcid.org/0000-0002-9140-7863)
- Song Liu (ORCID: https://orcid.org/0000-0002-1792-6016)
- Lei Shi
- Yang Xu (ORCID: https://orcid.org/0000-0002-1058-2396)
- Lixin Wei (ORCID: https://orcid.org/0000-0002-2306-1709)
- Julian Skagfjörd Reinhold
Institutions
- Dalian Institute of Chemical Physics (CN)
- Chinese Academy of Sciences (CN)
- Northeast Forestry University (CN)
Publication Details
- Journal
- Physical Chemistry Chemical Physics
- Published
- 2024-12-31
- DOI
- https://doi.org/10.1039/d4cp03912b
- Citations
- 1
- Primary Topic
- CO2 Reduction Techniques and Catalysts
- Type
- article
- Field-Weighted Citation Impact
- 0.10
Funders
- National Natural Science Foundation of China
- Natural Science Foundation of Heilongjiang Province
- Fundamental Research Funds for the Central Universities