Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S

The atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is...

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Detalles Bibliográficos
Autores: Torres, D., Carro, P., Salvarezza, R. C., Illas i Riera, Francesc
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2006
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/140508
Acceso en línea:https://hdl.handle.net/2445/140508
Access Level:acceso abierto
Palabra clave:Termodinàmica
Estructura atòmica
Thermodynamics
Atomic structure
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spelling Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3STorres, D.Carro, P.Salvarezza, R. C.Illas i Riera, FrancescTermodinàmicaEstructura atòmicaThermodynamicsAtomic structureThe atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is found that, in spite of significant differences in the atomic structure, the different surface models have a very similar surface free energy. It is claimed that the different ordered phases can coexist and that the appearance of one or another depends on the external preparation conditions.American Physical Society2019201920062019info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersion4 p.application/pdfapplication/pdfhttps://hdl.handle.net/2445/140508Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.97.226103Physical Review Letters, 2006, vol. 97, num. 22, p. 226103https://doi.org/10.1103/PhysRevLett.97.226103(c) American Physical Society, 2006info:eu-repo/semantics/openAccessoai:recercat.cat:2445/1405082026-05-29T05:05:01Z
dc.title.none.fl_str_mv Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
title Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
spellingShingle Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
Torres, D.
Termodinàmica
Estructura atòmica
Thermodynamics
Atomic structure
title_short Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
title_full Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
title_fullStr Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
title_full_unstemmed Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
title_sort Evidence for the Formation of Different Energetically Similar Atomic Structures in Ag(111)−(√7×√7)−R19.1°−CH3S
dc.creator.none.fl_str_mv Torres, D.
Carro, P.
Salvarezza, R. C.
Illas i Riera, Francesc
author Torres, D.
author_facet Torres, D.
Carro, P.
Salvarezza, R. C.
Illas i Riera, Francesc
author_role author
author2 Carro, P.
Salvarezza, R. C.
Illas i Riera, Francesc
author2_role author
author
author
dc.subject.none.fl_str_mv Termodinàmica
Estructura atòmica
Thermodynamics
Atomic structure
topic Termodinàmica
Estructura atòmica
Thermodynamics
Atomic structure
description The atomic structure and thermodynamic stability of Ag ( 111 ) ( √ 7 × √ 7 ) − R 19.1 ° − CH 3 S has been studied by means of density functional calculations and atomistic first principles thermodynamics. The unreconstructed model and two recently proposed reconstructions have been considered. It is found that, in spite of significant differences in the atomic structure, the different surface models have a very similar surface free energy. It is claimed that the different ordered phases can coexist and that the appearance of one or another depends on the external preparation conditions.
publishDate 2006
dc.date.none.fl_str_mv 2006
2019
2019
2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/140508
url https://hdl.handle.net/2445/140508
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1103/PhysRevLett.97.226103
Physical Review Letters, 2006, vol. 97, num. 22, p. 226103
https://doi.org/10.1103/PhysRevLett.97.226103
dc.rights.none.fl_str_mv (c) American Physical Society, 2006
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Physical Society, 2006
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 4 p.
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 Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,812429

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