Adhesion of metal on metal. The Pt on Co case
- Autores
- Légaré, P.; Castellani, Norberto Jorge; Cabeza, Gabriela Fernanda
- Año de publicación
- 2002
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The adhesion of Pt overlayers in pseudomorphic epitaxy on hcp Co(0 0 0 1) and fcc Co(1 0 0) was investigated with first-principles calculations. This was compared to the adhesion of the Pt surface layers on Pt(1 1 1) and Pt(1 0 0). We show that adhesion can be analyzed by taking into account the interplay between the chemical and structural properties at the interface. The free Pt planes with the bulk Pt-Pt distance are submitted to tensile stress which can be relaxed by 6.6% and 9.1% contraction for the (1 1 1) and (1 0 0) symmetries respectively. This results in equilibrium interatomic distances which are not far from that of the Co substrate. Consequently the stress energy in a pseudomorphic Pt monolayer on a Co substrate is lower than the stress energy of pure Pt(1 1 1) or Pt(1 0 0) surfaces. However, this is at the expense of the Pt chemical reactivity towards the Co substrate. This is in agreement with the general dependence between chemical reactivity and stress of a metal surface. © 2001 Elsevier Science B.V. All rights reserved.
Fil: Légaré, P.. Universite Louis Pasteur; Francia
Fil: Castellani, Norberto Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina
Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina - Materia
-
Adhesion
Cobalt
Density Functional Calculations
Epitaxy
Low Index Single Crystal Surfaces
Platinum
Surface Stress - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/72542
Ver los metadatos del registro completo
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Adhesion of metal on metal. The Pt on Co caseLégaré, P.Castellani, Norberto JorgeCabeza, Gabriela FernandaAdhesionCobaltDensity Functional CalculationsEpitaxyLow Index Single Crystal SurfacesPlatinumSurface Stresshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The adhesion of Pt overlayers in pseudomorphic epitaxy on hcp Co(0 0 0 1) and fcc Co(1 0 0) was investigated with first-principles calculations. This was compared to the adhesion of the Pt surface layers on Pt(1 1 1) and Pt(1 0 0). We show that adhesion can be analyzed by taking into account the interplay between the chemical and structural properties at the interface. The free Pt planes with the bulk Pt-Pt distance are submitted to tensile stress which can be relaxed by 6.6% and 9.1% contraction for the (1 1 1) and (1 0 0) symmetries respectively. This results in equilibrium interatomic distances which are not far from that of the Co substrate. Consequently the stress energy in a pseudomorphic Pt monolayer on a Co substrate is lower than the stress energy of pure Pt(1 1 1) or Pt(1 0 0) surfaces. However, this is at the expense of the Pt chemical reactivity towards the Co substrate. This is in agreement with the general dependence between chemical reactivity and stress of a metal surface. © 2001 Elsevier Science B.V. All rights reserved.Fil: Légaré, P.. Universite Louis Pasteur; FranciaFil: Castellani, Norberto Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; ArgentinaFil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; ArgentinaElsevier Science2002-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/72542Légaré, P.; Castellani, Norberto Jorge; Cabeza, Gabriela Fernanda; Adhesion of metal on metal. The Pt on Co case; Elsevier Science; Surface Science; 496; 3; 1-2002; 51-540039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602801016119info:eu-repo/semantics/altIdentifier/doi/10.1016/S0039-6028(01)01611-9info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:29:21Zoai:ri.conicet.gov.ar:11336/72542instacron: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 15:29:22.141CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Adhesion of metal on metal. The Pt on Co case |
| title |
Adhesion of metal on metal. The Pt on Co case |
| spellingShingle |
Adhesion of metal on metal. The Pt on Co case Légaré, P. Adhesion Cobalt Density Functional Calculations Epitaxy Low Index Single Crystal Surfaces Platinum Surface Stress |
| title_short |
Adhesion of metal on metal. The Pt on Co case |
| title_full |
Adhesion of metal on metal. The Pt on Co case |
| title_fullStr |
Adhesion of metal on metal. The Pt on Co case |
| title_full_unstemmed |
Adhesion of metal on metal. The Pt on Co case |
| title_sort |
Adhesion of metal on metal. The Pt on Co case |
| dc.creator.none.fl_str_mv |
Légaré, P. Castellani, Norberto Jorge Cabeza, Gabriela Fernanda |
| author |
Légaré, P. |
| author_facet |
Légaré, P. Castellani, Norberto Jorge Cabeza, Gabriela Fernanda |
| author_role |
author |
| author2 |
Castellani, Norberto Jorge Cabeza, Gabriela Fernanda |
| author2_role |
author author |
| dc.subject.none.fl_str_mv |
Adhesion Cobalt Density Functional Calculations Epitaxy Low Index Single Crystal Surfaces Platinum Surface Stress |
| topic |
Adhesion Cobalt Density Functional Calculations Epitaxy Low Index Single Crystal Surfaces Platinum Surface Stress |
| purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
| dc.description.none.fl_txt_mv |
The adhesion of Pt overlayers in pseudomorphic epitaxy on hcp Co(0 0 0 1) and fcc Co(1 0 0) was investigated with first-principles calculations. This was compared to the adhesion of the Pt surface layers on Pt(1 1 1) and Pt(1 0 0). We show that adhesion can be analyzed by taking into account the interplay between the chemical and structural properties at the interface. The free Pt planes with the bulk Pt-Pt distance are submitted to tensile stress which can be relaxed by 6.6% and 9.1% contraction for the (1 1 1) and (1 0 0) symmetries respectively. This results in equilibrium interatomic distances which are not far from that of the Co substrate. Consequently the stress energy in a pseudomorphic Pt monolayer on a Co substrate is lower than the stress energy of pure Pt(1 1 1) or Pt(1 0 0) surfaces. However, this is at the expense of the Pt chemical reactivity towards the Co substrate. This is in agreement with the general dependence between chemical reactivity and stress of a metal surface. © 2001 Elsevier Science B.V. All rights reserved. Fil: Légaré, P.. Universite Louis Pasteur; Francia Fil: Castellani, Norberto Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Sur. Departamento de Física; Argentina |
| description |
The adhesion of Pt overlayers in pseudomorphic epitaxy on hcp Co(0 0 0 1) and fcc Co(1 0 0) was investigated with first-principles calculations. This was compared to the adhesion of the Pt surface layers on Pt(1 1 1) and Pt(1 0 0). We show that adhesion can be analyzed by taking into account the interplay between the chemical and structural properties at the interface. The free Pt planes with the bulk Pt-Pt distance are submitted to tensile stress which can be relaxed by 6.6% and 9.1% contraction for the (1 1 1) and (1 0 0) symmetries respectively. This results in equilibrium interatomic distances which are not far from that of the Co substrate. Consequently the stress energy in a pseudomorphic Pt monolayer on a Co substrate is lower than the stress energy of pure Pt(1 1 1) or Pt(1 0 0) surfaces. However, this is at the expense of the Pt chemical reactivity towards the Co substrate. This is in agreement with the general dependence between chemical reactivity and stress of a metal surface. © 2001 Elsevier Science B.V. All rights reserved. |
| publishDate |
2002 |
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2002-01 |
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info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
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publishedVersion |
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http://hdl.handle.net/11336/72542 Légaré, P.; Castellani, Norberto Jorge; Cabeza, Gabriela Fernanda; Adhesion of metal on metal. The Pt on Co case; Elsevier Science; Surface Science; 496; 3; 1-2002; 51-54 0039-6028 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/72542 |
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Légaré, P.; Castellani, Norberto Jorge; Cabeza, Gabriela Fernanda; Adhesion of metal on metal. The Pt on Co case; Elsevier Science; Surface Science; 496; 3; 1-2002; 51-54 0039-6028 CONICET Digital CONICET |
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eng |
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eng |
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Elsevier Science |
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