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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...

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Detalles Bibliográficos
Autores principales:	Cao, Yu‐Chen, Shi, Le‐Le, Li, Man, You, Bo, Liao, Rong‐Zhen
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2023
Materias:	Research Articles
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

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