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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8296003/ https://www.ncbi.nlm.nih.gov/pubmed/34308019 http://dx.doi.org/10.1021/acsomega.1c01062 |