Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces

Autores
Martin Gondre, L.; Alducin, M.; Bocan, Gisela Anahí; Díez Muiño, R.; Juaristi, J. I.
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We present a theoretical framework that allows us to evaluate within a full-dimensional dynamics the combined contribution of both excitation mechanisms while the gas particle-surface interaction is described by an ab initio potential energy surface. The model is applied to study energy dissipation in the scattering of N2 on W(110) and N on Ag(111). Our results show that phonon excitation is the dominant energy loss channel, whereas electron-hole pair excitations represent a minor contribution. We substantiate that, even when the energy dissipated is quantitatively significant, important aspects of the scattering dynamics are well captured by the adiabatic approximation.
Fil: Martin Gondre, L.. Consejo Superior de Investigaciones Cientificas; España. Universidad del País Vasco. Centro de Física de Materiales; España. Donostia International Physics Center; España
Fil: Alducin, M.. Donostia International Physics Center; España. Consejo Superior de Investigaciones Cientificas; España. Universidad del País Vasco. Centro de Física de Materiales; España
Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Díez Muiño, R.. Consejo Superior de Investigaciones Cientificas; España. Donostia International Physics Center; España. Universidad del País Vasco. Centro de Física de Materiales; España
Fil: Juaristi, J. I.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center, España; España. Universidad del País Vasco. Centro de Física de Materiales; España. Consejo Superior de Investigaciones Cientificas; España
Materia
Scattering
Dynamics
Excitations
Pes
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:11336/11151
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/11151
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfacesMartin Gondre, L.Alducin, M.Bocan, Gisela AnahíDíez Muiño, R.Juaristi, J. I.ScatteringDynamicsExcitationsPeshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We present a theoretical framework that allows us to evaluate within a full-dimensional dynamics the combined contribution of both excitation mechanisms while the gas particle-surface interaction is described by an ab initio potential energy surface. The model is applied to study energy dissipation in the scattering of N2 on W(110) and N on Ag(111). Our results show that phonon excitation is the dominant energy loss channel, whereas electron-hole pair excitations represent a minor contribution. We substantiate that, even when the energy dissipated is quantitatively significant, important aspects of the scattering dynamics are well captured by the adiabatic approximation.Fil: Martin Gondre, L.. Consejo Superior de Investigaciones Cientificas; España. Universidad del País Vasco. Centro de Física de Materiales; España. Donostia International Physics Center; EspañaFil: Alducin, M.. Donostia International Physics Center; España. Consejo Superior de Investigaciones Cientificas; España. Universidad del País Vasco. Centro de Física de Materiales; EspañaFil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); ArgentinaFil: Díez Muiño, R.. Consejo Superior de Investigaciones Cientificas; España. Donostia International Physics Center; España. Universidad del País Vasco. Centro de Física de Materiales; EspañaFil: Juaristi, J. I.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center, España; España. Universidad del País Vasco. Centro de Física de Materiales; España. Consejo Superior de Investigaciones Cientificas; EspañaAmerican Physical Society2012-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/11151Martin Gondre, L.; Alducin, M.; Bocan, Gisela Anahí; Díez Muiño, R.; Juaristi, J. I.; Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces; American Physical Society; Physical Review Letters; 108; 9; 2-2012; 1-40031-9007enginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.108.096101info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.108.096101info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:49:07Zoai:ri.conicet.gov.ar:11336/11151instacron: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:34982025-10-15 14:49:07.769CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
title Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
spellingShingle Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
Martin Gondre, L.
Scattering
Dynamics
Excitations
Pes
title_short Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
title_full Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
title_fullStr Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
title_full_unstemmed Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
title_sort Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces
dc.creator.none.fl_str_mv Martin Gondre, L.
Alducin, M.
Bocan, Gisela Anahí
Díez Muiño, R.
Juaristi, J. I.
author Martin Gondre, L.
author_facet Martin Gondre, L.
Alducin, M.
Bocan, Gisela Anahí
Díez Muiño, R.
Juaristi, J. I.
author_role author
author2 Alducin, M.
Bocan, Gisela Anahí
Díez Muiño, R.
Juaristi, J. I.
author2_role author
author
author
author
dc.subject.none.fl_str_mv Scattering
Dynamics
Excitations
Pes
topic Scattering
Dynamics
Excitations
Pes
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 investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We present a theoretical framework that allows us to evaluate within a full-dimensional dynamics the combined contribution of both excitation mechanisms while the gas particle-surface interaction is described by an ab initio potential energy surface. The model is applied to study energy dissipation in the scattering of N2 on W(110) and N on Ag(111). Our results show that phonon excitation is the dominant energy loss channel, whereas electron-hole pair excitations represent a minor contribution. We substantiate that, even when the energy dissipated is quantitatively significant, important aspects of the scattering dynamics are well captured by the adiabatic approximation.
Fil: Martin Gondre, L.. Consejo Superior de Investigaciones Cientificas; España. Universidad del País Vasco. Centro de Física de Materiales; España. Donostia International Physics Center; España
Fil: Alducin, M.. Donostia International Physics Center; España. Consejo Superior de Investigaciones Cientificas; España. Universidad del País Vasco. Centro de Física de Materiales; España
Fil: Bocan, Gisela Anahí. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Díez Muiño, R.. Consejo Superior de Investigaciones Cientificas; España. Donostia International Physics Center; España. Universidad del País Vasco. Centro de Física de Materiales; España
Fil: Juaristi, J. I.. Universidad del País Vasco. Facultad de Químicas. Departamento de Física de Materiales; España. Donostia International Physics Center, España; España. Universidad del País Vasco. Centro de Física de Materiales; España. Consejo Superior de Investigaciones Cientificas; España
description We investigate the role played by electron-hole pair and phonon excitations in the interaction of reactive gas molecules and atoms with metal surfaces. We present a theoretical framework that allows us to evaluate within a full-dimensional dynamics the combined contribution of both excitation mechanisms while the gas particle-surface interaction is described by an ab initio potential energy surface. The model is applied to study energy dissipation in the scattering of N2 on W(110) and N on Ag(111). Our results show that phonon excitation is the dominant energy loss channel, whereas electron-hole pair excitations represent a minor contribution. We substantiate that, even when the energy dissipated is quantitatively significant, important aspects of the scattering dynamics are well captured by the adiabatic approximation.
publishDate 2012
dc.date.none.fl_str_mv 2012-02
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/11336/11151
Martin Gondre, L.; Alducin, M.; Bocan, Gisela Anahí; Díez Muiño, R.; Juaristi, J. I.; Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces; American Physical Society; Physical Review Letters; 108; 9; 2-2012; 1-4
0031-9007
url http://hdl.handle.net/11336/11151
identifier_str_mv Martin Gondre, L.; Alducin, M.; Bocan, Gisela Anahí; Díez Muiño, R.; Juaristi, J. I.; Competition between electron and phonon excitations in the scattering of nitrogen atoms and molecules off tungsten and silver metal surfaces; American Physical Society; Physical Review Letters; 108; 9; 2-2012; 1-4
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.108.096101
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.108.096101
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 13.22299

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