DFT Studies of CO<sub>2</sub> Electroreduction on Pure Elements and Alloys

Hansen, Heine A.

Tuesday, June 4, 2013: 9:40 AM

Jones (Galt House Hotel)

Heine A. Hansen^1,2, Andrew A. Peterson^1,2,3 and Jens K. Nørskov^1,2, (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 COOH_ads, CO_ads and CHO_ads. We predict certain alloys circumvent the limitations imposed by the scaling relations and may show improved activity over pure elements.

Extended Abstracts:

HAH_NACS23.pdf (207.5KB) - Extended Abstract

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

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