@article{kitchin-2004-modif-pt,
author = {Kitchin, J. R. and Nørskov, 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},
}
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