When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage

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 l...

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Detalhes bibliográficos
Autores: López, Núria (López Alonso), Lodziana, Zbigniew, Illas i Riera, Francesc, Salmeron, Miquel
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2004
País:España
Recursos:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/13263
Acesso em linha:https://hdl.handle.net/2445/13263
Access Level:acceso abierto
Palavra-chave:Pel·lícules fines
Química física
Química de superfícies
Thin films
Physical chemistry and chemical physics
Surface chemistry
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spelling When Langmuir is too simple: H2 dissociation on Pd(111) at high coverageLópez, Núria (López Alonso)Lodziana, ZbigniewIllas i Riera, FrancescSalmeron, MiquelPel·lícules finesQuímica físicaQuímica de superfíciesThin filmsPhysical chemistry and chemical physicsSurface chemistryRecent 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."American Physical Society2004info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/13263Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.93.146103Physical Review Letters, 2004, vol. 93, núm. 14, p. 146103-1-146103-4http://dx.doi.org/10.1103/PhysRevLett.93.146103(c) American Physical Society, 2004info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/132632026-05-27T06:46:51Z
dc.title.none.fl_str_mv When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
title When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
spellingShingle When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
López, Núria (López Alonso)
Pel·lícules fines
Química física
Química de superfícies
Thin films
Physical chemistry and chemical physics
Surface chemistry
title_short When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
title_full When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
title_fullStr When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
title_full_unstemmed When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
title_sort When Langmuir is too simple: H2 dissociation on Pd(111) at high coverage
dc.creator.none.fl_str_mv López, Núria (López Alonso)
Lodziana, Zbigniew
Illas i Riera, Francesc
Salmeron, Miquel
author López, Núria (López Alonso)
author_facet López, Núria (López Alonso)
Lodziana, Zbigniew
Illas i Riera, Francesc
Salmeron, Miquel
author_role author
author2 Lodziana, Zbigniew
Illas i Riera, Francesc
Salmeron, Miquel
author2_role author
author
author
dc.subject.none.fl_str_mv Pel·lícules fines
Química física
Química de superfícies
Thin films
Physical chemistry and chemical physics
Surface chemistry
topic Pel·lícules fines
Química física
Química de superfícies
Thin films
Physical chemistry and chemical physics
Surface chemistry
description 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."
publishDate 2004
dc.date.none.fl_str_mv 2004
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/13263
url https://hdl.handle.net/2445/13263
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.93.146103
Physical Review Letters, 2004, vol. 93, núm. 14, p. 146103-1-146103-4
http://dx.doi.org/10.1103/PhysRevLett.93.146103
dc.rights.none.fl_str_mv (c) American Physical Society, 2004
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Physical Society, 2004
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,301603

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