Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode†
Abstract
We present results of density functional theory calculations on a Pt(111) slab with a bilayer of
* Corresponding authors
a
Center for Atomic-scale Materials Design, Department of Physics, Building 307, NanoDTU, Technical University of Denmark, Lyngby, Denmark
E-mail:
norskov@fysik.dtu.dk
b Science Institute, University of Iceland, Dunhaga 3, Reykjavik, Iceland
c
Faculty of Science, VR-II, University of Iceland, Reykjavik, Iceland
E-mail:
hj@hi.is
We present results of density functional theory calculations on a Pt(111) slab with a bilayer of
E. Skúlason, G. S. Karlberg, J. Rossmeisl, T. Bligaard, J. Greeley, H. Jónsson and J. K. Nørskov, Phys. Chem. Chem. Phys., 2007, 9, 3241 DOI: 10.1039/B700099E
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