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Theoretical Insights into Potential-Dependent C–C Bond Formation Mechanisms during CO(2) Electroreduction into C(2) Products on Cu(100) at Simulated Electrochemical Interfaces

[Image: see text] An improved CO coverage-dependent electrochemical interface model with an explicit solvent effect on Cu(100) is presented in this paper, by which theoretical insights into the potential-dependent C–C bond formation pathways occurring in CO(2) electrochemical reduction to C(2) produ...

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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Ou, Lihui, He, Zixi, Yang, Hai, Chen, Yuandao
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2021
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8296003/
https://ncbi.nlm.nih.gov/pubmed/34308019
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.1c01062
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