Theoretical Insights into Potential-Dependent C–C Bond Formation Mechanisms during CO2 Electroreduction into C2 Products on Cu(100) at Simulated Electrochemical Interfaces
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DOI: 10.1021/acsomega.1c01062
Abstract: 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 CO2 electrochemical reduction… read more here.
Keywords: bond formation; bond; formation mechanisms; potential dependent ... See more keywords