Modification of the Surface Electronic and Chemical Properties of Pt(111) By Subsurface 3d Transition Metals

@article{kitchin-2004-modif-pt,
  author =	 {Kitchin, J. R. and N{\o}rskov, J. K. and Barteau, M. A. and
                  Chen, J.  G.},
  title =	 {Modification of the Surface Electronic and Chemical Properties
                  of {Pt}(111) By Subsurface 3d Transition Metals},
  journal =	 {Journal of Chemical Physics},
  volume =	 120,
  number =	 21,
  pages =	 {10240-10246},
  year =	 2004,
  doi =		 {10.1063/1.1737365},
  abstract =	 {The modification of the electronic and chemical properties of
                  Pt(111) surfaces by subsurface 3d transition metals was
                  studied using density-functional theory. In each case
                  investigated, the Pt surface d-band was broadened and lowered
                  in energy by interactions with the subsurface 3d metals,
                  resulting in weaker dissociative adsorption energies of
                  hydrogen and oxygen on these surfaces. The magnitude of the
                  decrease in adsorption energy was largest for the early 3d
                  transition metals and smallest for the late 3d transition
                  metals. In some cases, dissociative adsorption was calculated
                  to be endothermic. The surfaces investigated in this study had
                  no lateral strain in them, demonstrating that strain is not a
                  necessary factor in the modification of bimetallic surface
                  properties. The implications of these findings are discussed
                  in the context of c talyst design, particularly for fuel cell
                  electrocatalysts.  (C) 2004 American Institute of Physics.},
  issn =	 {0021-9606},
  type =	 {Journal Article},
}

The manuscript source: ./Pt3d_version2.tex and in PDF: ./Pt3d_version2.pdf