TY - JOUR
T1 - Selectivity of CO2 reduction on copper electrodes
T2 - The role of the kinetics of elementary steps
AU - Nie, Xiaowa
AU - Esopi, Monica R.
AU - Janik, Michael J.
AU - Asthagiri, Aravind
PY - 2013/2/25
Y1 - 2013/2/25
N2 - 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 CO2 electroreduction on Cu(111) was identified. Methane formation proceeds through reduction of CO to COH (path II, see picture), which leads to CHx species that can produce both methane and ethylene, as observed experimentally.
AB - 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 CO2 electroreduction on Cu(111) was identified. Methane formation proceeds through reduction of CO to COH (path II, see picture), which leads to CHx species that can produce both methane and ethylene, as observed experimentally.
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U2 - 10.1002/anie.201208320
DO - 10.1002/anie.201208320
M3 - Article
C2 - 23345201
AN - SCOPUS:84874255995
SN - 1433-7851
VL - 52
SP - 2459
EP - 2462
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 9
ER -