P-W-BRC-124 Kinetics of Electrochemical CO2 Reduction on Pt(111)

Wednesday, June 5, 2013
Ballroom C (Galt House Hotel)
Chuan Shi1,2, Heine A. Hansen1,2, Christopher P. O'Grady2, Andrew A. Peterson1,2,3 and Jens K. NÝrskov1,2, (1)Stanford University, USA, (2)SLAC National Accelerator Laboratory, USA, (3)Brown University, USA.
We use Density Functional Theory to calculate activation energy barriers for various steps in the electrochemical reduction of CO2 on Pt(111).  We find that in general, barriers are surmountable (<0.7 eV) at room temperature once the thermodynamics dictate that the step should be thermal neutral.

Extended Abstracts: