Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni

Autores
Quiroga, María Alejandra; Cabeza, Gabriela Fernanda
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We report ab initio computations with the Vienna Ab initio Simulation Package (VASP) aimed at elucidating the adsorption mechanism of graphene-like structures on (111) Pd, Pt, and Ni surfaces. To study the adsorption properties, we simulate an already-formed graphene layer. We present a comparative discussion of the graphene interactions with the three metals, focusing on the very particular adsorption of graphene over Pd
Fil: Quiroga, María Alejandra. Universidad Nacional del Sur. Departamento de Fisica; Consejo Nacional de Invest Cientifícas y Tecnicas. Centro Cientifico Tecnológico - Conicet - Bahia Blanca. Instituto de Fisica del Sur; Argentina;
Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Invest Cientifícas y Tecnicas. Centro Cientifico Tecnológico - Conicet - Bahia Blanca. Instituto de Fisica del Sur; Argentina; Universidad Nacional del Sur. Departamento de Fisica;
Materia
graphene
Van der Waals
Pd
Pt
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/932
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Role of Van der Waals forces in graphene adsorption over: Pd, Pt, NiQuiroga, María AlejandraCabeza, Gabriela FernandagrapheneVan der WaalsPdPthttps://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.3We report ab initio computations with the Vienna Ab initio Simulation Package (VASP) aimed at elucidating the adsorption mechanism of graphene-like structures on (111) Pd, Pt, and Ni surfaces. To study the adsorption properties, we simulate an already-formed graphene layer. We present a comparative discussion of the graphene interactions with the three metals, focusing on the very particular adsorption of graphene over PdFil: Quiroga, María Alejandra. Universidad Nacional del Sur. Departamento de Fisica; Consejo Nacional de Invest Cientifícas y Tecnicas. Centro Cientifico Tecnológico - Conicet - Bahia Blanca. Instituto de Fisica del Sur; Argentina;Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Invest Cientifícas y Tecnicas. Centro Cientifico Tecnológico - Conicet - Bahia Blanca. Instituto de Fisica del Sur; Argentina; Universidad Nacional del Sur. Departamento de Fisica;Soc Brasileira Fisica2013-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/932Quiroga, María Alejandra; Cabeza, Gabriela Fernanda; Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni; Soc Brasileira Fisica; Brazilian Journal Of Physics; 43; 6-2013; 126-1290103-9733http://arxiv.org/pdf/1303.0033.pdfenginfo:eu-repo/semantics/altIdentifier/doi/10.1007/s13538-013-0124-3info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:22:35Zoai:ri.conicet.gov.ar:11336/932instacron: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 14:22:36.168CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
title Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
spellingShingle Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
Quiroga, María Alejandra
graphene
Van der Waals
Pd
Pt
title_short Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
title_full Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
title_fullStr Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
title_full_unstemmed Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
title_sort Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni
dc.creator.none.fl_str_mv Quiroga, María Alejandra
Cabeza, Gabriela Fernanda
author Quiroga, María Alejandra
author_facet Quiroga, María Alejandra
Cabeza, Gabriela Fernanda
author_role author
author2 Cabeza, Gabriela Fernanda
author2_role author
dc.subject.none.fl_str_mv graphene
Van der Waals
Pd
Pt
topic graphene
Van der Waals
Pd
Pt
purl_subject.fl_str_mv https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.3
dc.description.none.fl_txt_mv We report ab initio computations with the Vienna Ab initio Simulation Package (VASP) aimed at elucidating the adsorption mechanism of graphene-like structures on (111) Pd, Pt, and Ni surfaces. To study the adsorption properties, we simulate an already-formed graphene layer. We present a comparative discussion of the graphene interactions with the three metals, focusing on the very particular adsorption of graphene over Pd
Fil: Quiroga, María Alejandra. Universidad Nacional del Sur. Departamento de Fisica; Consejo Nacional de Invest Cientifícas y Tecnicas. Centro Cientifico Tecnológico - Conicet - Bahia Blanca. Instituto de Fisica del Sur; Argentina;
Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Invest Cientifícas y Tecnicas. Centro Cientifico Tecnológico - Conicet - Bahia Blanca. Instituto de Fisica del Sur; Argentina; Universidad Nacional del Sur. Departamento de Fisica;
description We report ab initio computations with the Vienna Ab initio Simulation Package (VASP) aimed at elucidating the adsorption mechanism of graphene-like structures on (111) Pd, Pt, and Ni surfaces. To study the adsorption properties, we simulate an already-formed graphene layer. We present a comparative discussion of the graphene interactions with the three metals, focusing on the very particular adsorption of graphene over Pd
publishDate 2013
dc.date.none.fl_str_mv 2013-06
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/11336/932
Quiroga, María Alejandra; Cabeza, Gabriela Fernanda; Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni; Soc Brasileira Fisica; Brazilian Journal Of Physics; 43; 6-2013; 126-129
0103-9733
http://arxiv.org/pdf/1303.0033.pdf
url http://hdl.handle.net/11336/932
http://arxiv.org/pdf/1303.0033.pdf
identifier_str_mv Quiroga, María Alejandra; Cabeza, Gabriela Fernanda; Role of Van der Waals forces in graphene adsorption over: Pd, Pt, Ni; Soc Brasileira Fisica; Brazilian Journal Of Physics; 43; 6-2013; 126-129
0103-9733
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1007/s13538-013-0124-3
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Soc Brasileira Fisica
publisher.none.fl_str_mv Soc Brasileira Fisica
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
_version_ 1846082627280306176
score 13.22299

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