Theoretical considerations on the electroreduction of CO to C2 species on Cu(100) electrodes.

Theoretical Considerations on the Electroreduction of CO to C2 Species on Cu(100) Electrodes CO-products : DFT calculations are used to construct a mechanism for the electrochemical reduction of CO on Cu(100) that agrees with the experimental observations (see picture) of pH independence in the formation of C2 species. The ratedetermining step is an electron-transfermediated CO dimerization. Ethylene, acetaldehyde, and ethanol are formed through a common pathway, and adsorbed ethylene oxide is one of the reaction intermediates. Angewandte Chemie

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