Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps.
On the right path: Based on DFT calculations (incorporating the role of water solvation) of the activation barriers of elementary steps, a new path that leads to methane and ethylene for CO(2) electroreduction on Cu(111) was identified. Methane formation proceeds through reduction of CO to COH (path II, see picture), which leads to CH(x) species that can produce both methane and ethylene, as observed experimentally.
William G. Lowrie Department of Chemical & Biomolecular Engineering, The Ohio State University, 221A Koffolt Laboratories, 140 West 19th Ave., Columbus, OH 43210, USA.
Xiaowa
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Monica R
MR
Esopi
Michael J
MJ
Janik
Aravind
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Asthagiri