Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

Autores
Galparsoro, Oihana; Busnengo, Heriberto Fabio; Juaristi, Joseba Iñaki; Crespos, Cédric; Alducin, Maite; Larregaray, Pascal
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Adiabatic and non-adiabatic quasiclassical molecular dynamics simulations are performed to investigate the role of the crystal face on hot-atom abstraction of H adsorbates by H scattering from covered W(100) and W(110). On both cases, hyperthermal diffusion is strongly affected by the energy dissipated into electron-hole pair excitations. As a result, the hot-atom abstraction is highly reduced in favor of adsorption at low incidence energy and low coverages, i.e., when the mean free path of the hyperthermal H is typically larger. Qualitatively, this reduction is rather similar on both surfaces, despite at such initial conditions, the abstraction process involves more subsurface penetration on W(100) than on W(110).
Fil: Galparsoro, Oihana. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Institut Des Sciences Moleculaires; Francia. Universite de Bordeaux; Francia. Donostia International Physics Center; España
Fil: Busnengo, Heriberto Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Juaristi, Joseba Iñaki. Donostia International Physics Center; España. Universidad del País Vasco; España. Consejo Superior de Investigaciones Científicas; España
Fil: Crespos, Cédric. Institut Des Sciences Moleculaires; Francia. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Universite de Bordeaux; Francia
Fil: Alducin, Maite. Consejo Superior de Investigaciones Científicas; España. Donostia International Physics Center; España
Fil: Larregaray, Pascal. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Institut Des Sciences Moleculaires; Francia. Universite de Bordeaux; Francia
Materia
Eley-Rideal
Hidrógeno
Tungsteno
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:11336/64318
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/64318
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structureGalparsoro, OihanaBusnengo, Heriberto FabioJuaristi, Joseba IñakiCrespos, CédricAlducin, MaiteLarregaray, PascalEley-RidealHidrógenoTungstenohttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Adiabatic and non-adiabatic quasiclassical molecular dynamics simulations are performed to investigate the role of the crystal face on hot-atom abstraction of H adsorbates by H scattering from covered W(100) and W(110). On both cases, hyperthermal diffusion is strongly affected by the energy dissipated into electron-hole pair excitations. As a result, the hot-atom abstraction is highly reduced in favor of adsorption at low incidence energy and low coverages, i.e., when the mean free path of the hyperthermal H is typically larger. Qualitatively, this reduction is rather similar on both surfaces, despite at such initial conditions, the abstraction process involves more subsurface penetration on W(100) than on W(110).Fil: Galparsoro, Oihana. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Institut Des Sciences Moleculaires; Francia. Universite de Bordeaux; Francia. Donostia International Physics Center; EspañaFil: Busnengo, Heriberto Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Juaristi, Joseba Iñaki. Donostia International Physics Center; España. Universidad del País Vasco; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Crespos, Cédric. Institut Des Sciences Moleculaires; Francia. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Universite de Bordeaux; FranciaFil: Alducin, Maite. Consejo Superior de Investigaciones Científicas; España. Donostia International Physics Center; EspañaFil: Larregaray, Pascal. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Institut Des Sciences Moleculaires; Francia. Universite de Bordeaux; FranciaAmerican Institute of Physics2017-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/64318Galparsoro, Oihana; Busnengo, Heriberto Fabio; Juaristi, Joseba Iñaki; Crespos, Cédric; Alducin, Maite; et al.; Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure; American Institute of Physics; Journal of Chemical Physics; 147; 12; 9-20170021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4997127info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.4997127info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:09:56Zoai:ri.conicet.gov.ar:11336/64318instacron: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 10:09:57.156CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
title Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
spellingShingle Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
Galparsoro, Oihana
Eley-Rideal
Hidrógeno
Tungsteno
title_short Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
title_full Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
title_fullStr Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
title_full_unstemmed Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
title_sort Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure
dc.creator.none.fl_str_mv Galparsoro, Oihana
Busnengo, Heriberto Fabio
Juaristi, Joseba Iñaki
Crespos, Cédric
Alducin, Maite
Larregaray, Pascal
author Galparsoro, Oihana
author_facet Galparsoro, Oihana
Busnengo, Heriberto Fabio
Juaristi, Joseba Iñaki
Crespos, Cédric
Alducin, Maite
Larregaray, Pascal
author_role author
author2 Busnengo, Heriberto Fabio
Juaristi, Joseba Iñaki
Crespos, Cédric
Alducin, Maite
Larregaray, Pascal
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Eley-Rideal
Hidrógeno
Tungsteno
topic Eley-Rideal
Hidrógeno
Tungsteno
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Adiabatic and non-adiabatic quasiclassical molecular dynamics simulations are performed to investigate the role of the crystal face on hot-atom abstraction of H adsorbates by H scattering from covered W(100) and W(110). On both cases, hyperthermal diffusion is strongly affected by the energy dissipated into electron-hole pair excitations. As a result, the hot-atom abstraction is highly reduced in favor of adsorption at low incidence energy and low coverages, i.e., when the mean free path of the hyperthermal H is typically larger. Qualitatively, this reduction is rather similar on both surfaces, despite at such initial conditions, the abstraction process involves more subsurface penetration on W(100) than on W(110).
Fil: Galparsoro, Oihana. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Institut Des Sciences Moleculaires; Francia. Universite de Bordeaux; Francia. Donostia International Physics Center; España
Fil: Busnengo, Heriberto Fabio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina
Fil: Juaristi, Joseba Iñaki. Donostia International Physics Center; España. Universidad del País Vasco; España. Consejo Superior de Investigaciones Científicas; España
Fil: Crespos, Cédric. Institut Des Sciences Moleculaires; Francia. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Universite de Bordeaux; Francia
Fil: Alducin, Maite. Consejo Superior de Investigaciones Científicas; España. Donostia International Physics Center; España
Fil: Larregaray, Pascal. Centre National de la Recherche Scientifique. Institut des Textes et Manuscrits Modernes; Francia. Institut Des Sciences Moleculaires; Francia. Universite de Bordeaux; Francia
description Adiabatic and non-adiabatic quasiclassical molecular dynamics simulations are performed to investigate the role of the crystal face on hot-atom abstraction of H adsorbates by H scattering from covered W(100) and W(110). On both cases, hyperthermal diffusion is strongly affected by the energy dissipated into electron-hole pair excitations. As a result, the hot-atom abstraction is highly reduced in favor of adsorption at low incidence energy and low coverages, i.e., when the mean free path of the hyperthermal H is typically larger. Qualitatively, this reduction is rather similar on both surfaces, despite at such initial conditions, the abstraction process involves more subsurface penetration on W(100) than on W(110).
publishDate 2017
dc.date.none.fl_str_mv 2017-09
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/11336/64318
Galparsoro, Oihana; Busnengo, Heriberto Fabio; Juaristi, Joseba Iñaki; Crespos, Cédric; Alducin, Maite; et al.; Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure; American Institute of Physics; Journal of Chemical Physics; 147; 12; 9-2017
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/64318
identifier_str_mv Galparsoro, Oihana; Busnengo, Heriberto Fabio; Juaristi, Joseba Iñaki; Crespos, Cédric; Alducin, Maite; et al.; Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure; American Institute of Physics; Journal of Chemical Physics; 147; 12; 9-2017
0021-9606
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4997127
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.4997127
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 Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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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