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Deciphering the Selectivity of the Electrochemical CO(2) Reduction to CO by a Cobalt Porphyrin Catalyst in Neutral Aqueous Solution: Insights from DFT Calculations
Density functional theory (DFT) calculations were conducted to investigate the cobalt porphyrin‐catalyzed electro‐reduction of CO(2) to CO in an aqueous solution. The results suggest that Co(II)−porphyrin (Co(II)−L) undertakes a ligand‐based reduction to generate the active species Co(II)−L⋅(−), whe...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9900731/ https://www.ncbi.nlm.nih.gov/pubmed/36744721 http://dx.doi.org/10.1002/open.202200254 |