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Proton-coupled electron transfer in the electrocatalysis of CO(2) reduction: prediction of sequential vs. concerted pathways using DFT
Herein we investigate computationally in detail the mechanism of the formation of the carboxylate adduct during the electroreduction of CO(2) in water catalysed by cobalt porphyrin complexes. Specifically, we address qualitatively the competition between the concerted and sequential pathways for the...
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| Publicado no: | Chem Sci |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5298188/ https://ncbi.nlm.nih.gov/pubmed/28451193 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c6sc02984a |
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