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SLAC Publication: SLAC-PUB-16943
SLAC Release Date: June 14, 2017
Understanding trends in electrochemical CO2 reduction rates
We present an understanding of trends in electrocatalytic activity for CO2 reduction over different metal catalysts that rationalize a number of experimental observations including the selectivity with respect to the competing hydrogen evolution reaction. We also identify two design criteria for new catalysts. The understanding is based on density functional theory calculations of activation energies for electrochemical CO reduction as a basis for an electrochemical kinetic model of the process.... Show Full Abstract
We present an understanding of trends in electrocatalytic activity for CO2 reduction over different metal catalysts that rationalize a number of experimental observations including the selectivity with respect to the competing hydrogen evolution reaction. We also identify two design criteria for new catalysts. The understanding is based on density functional theory calculations of activation energies for electrochemical CO reduction as a basis for an electrochemical kinetic model of the process. We develop scaling relations relating transition state energies to the CO adsorption energy and determine the optimal value of this descriptor to be very close to that of Cu. Show Partial Abstract
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  • Interest Categories: Chemistry