Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle

5 páginas, 2 figuras.-- El Pdf del artículo es la versión post-print.

Bibliographic Details
Authors: Alducin Ochoa, Maite, Díez Muiño, Ricardo, Busnengo, Heriberto Fabio, Salin, Antoine
Format: article
Publication Date:2007
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/45975
Online Access:http://hdl.handle.net/10261/45975
Access Level:Open access
Keyword:Gas/surface dynamics
Nitrogen molecule
W surface
Dissociative adsorption
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spelling Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angleAlducin Ochoa, MaiteDíez Muiño, RicardoBusnengo, Heriberto FabioSalin, AntoineGas/surface dynamicsNitrogen moleculeW surfaceDissociative adsorption5 páginas, 2 figuras.-- El Pdf del artículo es la versión post-print.The dissociative adsorption of N2 on W(110) is studied using classical dynamics on a six-dimensional potential energy surface obtained from density functional theory calculations. Two distinct channels are identified in the dissociation process: a direct one and an indirect one. It is shown that the direct channel is inhibited for low energy molecules (Ei < 400 meV) and low incidence angles. The indirect channel includes long-lasting dynamic trapping of the molecule at the surface before dissociation. The dependence of the sticking coefficient on the initial incidence angle is analyzed. The theoretical results compare well with values measured using molecular beam techniques.We acknowledge partial support by the University of the Basque Country UPV/EHU (Grant No. 9/UPV 00206.215-13639/2001), and the Spanish MCyT (Grant No. FIS2004-06490-CO3-00). M.A. acknowledges financial support by the Gipuzkoako Foru Aldundia, and H.F.B. and A.S. by the DIPC.Peer reviewedElsevier201220122007info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501http://hdl.handle.net/10261/45975reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttp://dx.doi.org/10.1016/j.susc.2007.04.016info:eu-repo/semantics/openAccessoai:digital.csic.es:10261/459752026-05-22T06:33:51Z
dc.title.none.fl_str_mv Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
title Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
spellingShingle Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
Alducin Ochoa, Maite
Gas/surface dynamics
Nitrogen molecule
W surface
Dissociative adsorption
title_short Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
title_full Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
title_fullStr Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
title_full_unstemmed Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
title_sort Dissociative adsorption of N2 on W(110): Theoretical study of the dependence on the incidence angle
dc.creator.none.fl_str_mv Alducin Ochoa, Maite
Díez Muiño, Ricardo
Busnengo, Heriberto Fabio
Salin, Antoine
author Alducin Ochoa, Maite
author_facet Alducin Ochoa, Maite
Díez Muiño, Ricardo
Busnengo, Heriberto Fabio
Salin, Antoine
author_role author
author2 Díez Muiño, Ricardo
Busnengo, Heriberto Fabio
Salin, Antoine
author2_role author
author
author
dc.subject.none.fl_str_mv Gas/surface dynamics
Nitrogen molecule
W surface
Dissociative adsorption
topic Gas/surface dynamics
Nitrogen molecule
W surface
Dissociative adsorption
description 5 páginas, 2 figuras.-- El Pdf del artículo es la versión post-print.
publishDate 2007
dc.date.none.fl_str_mv 2007
2012
2012
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
format article
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/45975
url http://hdl.handle.net/10261/45975
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv http://dx.doi.org/10.1016/j.susc.2007.04.016
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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