OC12 Mechanism of hydrogen formation

Monday, June 6, 2011: 3:40 PM
Cartier Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Egill Skulason1, Vladimir Tripkovic2, Marten Bjorketun2, Sigridur Gudmundsdottir1, Gustav Karlberg2, Jan Rossmeisl3, Thomas Bligaard4, Hannes Jónsson1 and Jens K. Norskov5, (1)Department of Chemistry, Science Institute of the University of Iceland, Reykjavik, Iceland, (2)CAMd, DTU, Lyngby, Denmark, (3)Department of Physics, Technical University of Denmark, Lyngby, Denmark, (4)Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark, DK-2800 Kgs. Lyngby, Denmark, (5)Department of Chemical Engineering, Stanford University, Stanford, CA
We model the electrochemical double layer using density functional theory (DFT) calculations. We have calculated the rate of H2 formation on several electrode surfaces in good agreement with experimental data. Our conclusion about the mechanism is that the Volmer-Tafel reaction is several orders of magnitude faster than the Volmer-Heyrovsky reaction.

Extended Abstracts: