Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)

Autores
Blanco Rey, M.; Juaristi, J. I.; Diez Muino, R.; Busnengo, Heriberto Fabio; Kroes, G. J.; Alducin, M.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H2. The methodology developed here, denoted AIMDEF, consists of ab initio molecular dynamics simulations that include a friction force to account for the energy transfer to the electronic system. We find that the excitation of electron-hole pairs is the main channel for energy dissipation, which happens at a rate that is five times faster than energy transfer into Pd lattice motion. Our results show that electronic excitations may constitute the dominant dissipation channel in the relaxation of hot atoms on surfaces.
Fil: Blanco Rey, M.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center; España
Fil: Juaristi, J. I.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center; España. Centro de Física de Materiales; España
Fil: Diez Muino, R.. Donostia International Physics Center; España. Centro de Física de Materiales; España
Fil: Busnengo, Heriberto Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. Universidad Nacional de Rosario; Argentina
Fil: Kroes, G. J.. Leiden University; Países Bajos
Fil: Alducin, M.. Donostia International Physics Center; España. Centro de Física de Materiales; España
Materia
Adsorption
Dissociation
Hot-Atoms
Electronic-Friction
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/5930
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)Blanco Rey, M.Juaristi, J. I.Diez Muino, R.Busnengo, Heriberto FabioKroes, G. J.Alducin, M.AdsorptionDissociationHot-AtomsElectronic-Frictionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H2. The methodology developed here, denoted AIMDEF, consists of ab initio molecular dynamics simulations that include a friction force to account for the energy transfer to the electronic system. We find that the excitation of electron-hole pairs is the main channel for energy dissipation, which happens at a rate that is five times faster than energy transfer into Pd lattice motion. Our results show that electronic excitations may constitute the dominant dissipation channel in the relaxation of hot atoms on surfaces.Fil: Blanco Rey, M.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center; EspañaFil: Juaristi, J. I.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center; España. Centro de Física de Materiales; EspañaFil: Diez Muino, R.. Donostia International Physics Center; España. Centro de Física de Materiales; EspañaFil: Busnengo, Heriberto Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. Universidad Nacional de Rosario; ArgentinaFil: Kroes, G. J.. Leiden University; Países BajosFil: Alducin, M.. Donostia International Physics Center; España. Centro de Física de Materiales; EspañaAmerican Physical Society2014-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/5930Blanco Rey, M.; Juaristi, J. I.; Diez Muino, R.; Busnengo, Heriberto Fabio; Kroes, G. J.; et al.; Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100); American Physical Society; Physical Review Letters; 112; 10; 1-2014; 103203-1032070031-9007enginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.103203info:eu-repo/semantics/altIdentifier/doi/info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.112.103203info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:46:29Zoai:ri.conicet.gov.ar:11336/5930instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:46:29.566CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
title Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
spellingShingle Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
Blanco Rey, M.
Adsorption
Dissociation
Hot-Atoms
Electronic-Friction
title_short Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
title_full Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
title_fullStr Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
title_full_unstemmed Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
title_sort Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100)
dc.creator.none.fl_str_mv Blanco Rey, M.
Juaristi, J. I.
Diez Muino, R.
Busnengo, Heriberto Fabio
Kroes, G. J.
Alducin, M.
author Blanco Rey, M.
author_facet Blanco Rey, M.
Juaristi, J. I.
Diez Muino, R.
Busnengo, Heriberto Fabio
Kroes, G. J.
Alducin, M.
author_role author
author2 Juaristi, J. I.
Diez Muino, R.
Busnengo, Heriberto Fabio
Kroes, G. J.
Alducin, M.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Adsorption
Dissociation
Hot-Atoms
Electronic-Friction
topic Adsorption
Dissociation
Hot-Atoms
Electronic-Friction
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H2. The methodology developed here, denoted AIMDEF, consists of ab initio molecular dynamics simulations that include a friction force to account for the energy transfer to the electronic system. We find that the excitation of electron-hole pairs is the main channel for energy dissipation, which happens at a rate that is five times faster than energy transfer into Pd lattice motion. Our results show that electronic excitations may constitute the dominant dissipation channel in the relaxation of hot atoms on surfaces.
Fil: Blanco Rey, M.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center; España
Fil: Juaristi, J. I.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center; España. Centro de Física de Materiales; España
Fil: Diez Muino, R.. Donostia International Physics Center; España. Centro de Física de Materiales; España
Fil: Busnengo, Heriberto Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. Universidad Nacional de Rosario; Argentina
Fil: Kroes, G. J.. Leiden University; Países Bajos
Fil: Alducin, M.. Donostia International Physics Center; España. Centro de Física de Materiales; España
description We study the dynamics of transient hot H atoms on Pd(100) that originated from dissociative adsorption of H2. The methodology developed here, denoted AIMDEF, consists of ab initio molecular dynamics simulations that include a friction force to account for the energy transfer to the electronic system. We find that the excitation of electron-hole pairs is the main channel for energy dissipation, which happens at a rate that is five times faster than energy transfer into Pd lattice motion. Our results show that electronic excitations may constitute the dominant dissipation channel in the relaxation of hot atoms on surfaces.
publishDate 2014
dc.date.none.fl_str_mv 2014-01
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/5930
Blanco Rey, M.; Juaristi, J. I.; Diez Muino, R.; Busnengo, Heriberto Fabio; Kroes, G. J.; et al.; Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100); American Physical Society; Physical Review Letters; 112; 10; 1-2014; 103203-103207
0031-9007
url http://hdl.handle.net/11336/5930
identifier_str_mv Blanco Rey, M.; Juaristi, J. I.; Diez Muino, R.; Busnengo, Heriberto Fabio; Kroes, G. J.; et al.; Electronic Friction Dominates Hydrogen Hot Atom Relaxation on Pd(100); American Physical Society; Physical Review Letters; 112; 10; 1-2014; 103203-103207
0031-9007
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.103203
info:eu-repo/semantics/altIdentifier/doi/
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.112.103203
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
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 reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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