O-Tu-Jon-1 DFT Studies of CO2 Electroreduction on Pure Elements and Alloys

Tuesday, June 4, 2013: 9:40 AM
Jones (Galt House Hotel)
Heine A. Hansen1,2, Andrew A. Peterson1,2,3 and Jens K. NÝrskov1,2, (1)Stanford University, USA, (2)SLAC National Accelerator Laboratory, USA, (3)Brown University, USA.
High overpotentials for CO2 reduction to CO and hydrocarbons are caused by unfavorable correlations between the binding energies of COOHads, COads and CHOads. We predict certain alloys circumvent the limitations imposed by the scaling relations and may show improved activity over pure elements.

Extended Abstracts: