Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps
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Updated: May 14, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Xiaowa Nie1, Monica R Esopi, Michael J Janik
1William G. Lowrie Department of Chemical & Biomolecular Engineering, The Ohio State University, 221A Koffolt Laboratories, 140 West 19th Ave., Columbus, OH 43210, USA.
Abstract:
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.
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