Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/13263
Title: When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
Author: López, Núria (López Alonso)
Lodziana, Zbigniew
Illas i Riera, Francesc
Salmeron, Miquel
Keywords: Pel·lícules fines
Química física
Química de superfícies
Thin films
Physical chemistry and chemical physics
Surface chemistry
Issue Date: 2004
Publisher: American Physical Society
Abstract: Recent experiments of H2 adsorption on Pd(111) [T. Mitsui et al., Nature (London) 422, 705 (2003)] have questioned the classical Langmuir picture of second order adsorption kinetics at high surface coverage requiring pairs of empty sites for the dissociative chemisorption. Experiments find that at least three empty sites are needed. Through density functional theory, we find that H2 dissociation is favored on ensembles of sites that involve a Pd atom with no direct interaction with adsorbed hydrogen. Such active sites are formed by aggregation of at least 3 H-free sites revealing the complex structure of the "active sites."
Note: Reproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.93.146103
It is part of: Physical Review Letters, 2004, vol. 93, núm. 14, p. 146103-1-146103-4
URI: http://hdl.handle.net/2445/13263
ISSN: 0031-9007
Appears in Collections:Articles publicats en revistes (Ciència dels Materials i Química Física)

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