Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)

Quasiclassical trajectories simulations are performed to study the influence of surface temperature on the dynamics of a N atom colliding a N-preadsorbed W(100) surface under normal incidence. A generalized Langevin surface oscillator scheme is used to allow energy transfer between the nitrogen atom...

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Authors: Quintas-Sánchez, E., Crespos, Cédric, Larregaray, Pascal, Rayez, J-C., Martin-Gondre, L., Rubayo-Soneira, J.
Format: article
Status:Published version
Publication Date:2013
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/384232
Online Access:http://hdl.handle.net/10261/384232
Access Level:Open access
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spelling Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)Quintas-Sánchez, E.Crespos, CédricLarregaray, PascalRayez, J-C.Martin-Gondre, L.Rubayo-Soneira, J.Quasiclassical trajectories simulations are performed to study the influence of surface temperature on the dynamics of a N atom colliding a N-preadsorbed W(100) surface under normal incidence. A generalized Langevin surface oscillator scheme is used to allow energy transfer between the nitrogen atoms and the surface. The influence of the surface temperature on the N(2) formed molecules via Eley-Rideal recombination is analyzed at T = 300, 800, and 1500 K. Ro-vibrational distributions of the N(2) molecules are only slightly affected by the presence of the thermal bath whereas kinetic energy is rather strongly decreased when going from a static surface model to a moving surface one. In terms of reactivity, the moving surface model leads to an increase of atomic trapping cross section yielding to an increase of the so-called hot atoms population and a decrease of the direct Eley-Rideal cross section. The energy exchange between the surface and the nitrogen atoms is semi-quantitatively interpreted by a simple binary collision model.Peer reviewedAmerican Institute of PhysicsConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252013info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/384232reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Ingléshttps://doi.org/10.1063/1.4774024Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3842322026-05-22T06:33:51Z
dc.title.none.fl_str_mv Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
title Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
spellingShingle Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
Quintas-Sánchez, E.
title_short Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
title_full Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
title_fullStr Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
title_full_unstemmed Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
title_sort Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)
dc.creator.none.fl_str_mv Quintas-Sánchez, E.
Crespos, Cédric
Larregaray, Pascal
Rayez, J-C.
Martin-Gondre, L.
Rubayo-Soneira, J.
author Quintas-Sánchez, E.
author_facet Quintas-Sánchez, E.
Crespos, Cédric
Larregaray, Pascal
Rayez, J-C.
Martin-Gondre, L.
Rubayo-Soneira, J.
author_role author
author2 Crespos, Cédric
Larregaray, Pascal
Rayez, J-C.
Martin-Gondre, L.
Rubayo-Soneira, J.
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description Quasiclassical trajectories simulations are performed to study the influence of surface temperature on the dynamics of a N atom colliding a N-preadsorbed W(100) surface under normal incidence. A generalized Langevin surface oscillator scheme is used to allow energy transfer between the nitrogen atoms and the surface. The influence of the surface temperature on the N(2) formed molecules via Eley-Rideal recombination is analyzed at T = 300, 800, and 1500 K. Ro-vibrational distributions of the N(2) molecules are only slightly affected by the presence of the thermal bath whereas kinetic energy is rather strongly decreased when going from a static surface model to a moving surface one. In terms of reactivity, the moving surface model leads to an increase of atomic trapping cross section yielding to an increase of the so-called hot atoms population and a decrease of the direct Eley-Rideal cross section. The energy exchange between the surface and the nitrogen atoms is semi-quantitatively interpreted by a simple binary collision model.
publishDate 2013
dc.date.none.fl_str_mv 2013
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/384232
url http://hdl.handle.net/10261/384232
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv https://doi.org/10.1063/1.4774024
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 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: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 15,811543

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