Formation of Ag nanowires on graphite stepped surfaces: A DFT study

Autores
Ambrusi, Rubén Eduardo; Garcia, Silvana Graciela; Pronsato, Maria Estela
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We investigate the feasibility of obtaining silver nanowires on graphite stepped surfaces theoretically, using density functional theory calculations. Three layer slabs are used to model graphite surfaces with and without defects. Adsorption energies for Ag atoms on graphite surfaces were calculated showing the preference of Ag adatoms to locate on the steps, forming linear structures like nanowires. An analysis of the charge densities and projected densities of states for different structures is also performed.
Fil: Ambrusi, Rubén Eduardo. Universidad Nacional del Sur. Departamento de Ingeniería Química. Instituto de Ingeniería Electroquímica y Corrosión; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca; Argentina
Fil: Garcia, Silvana Graciela. Universidad Nacional del Sur. Departamento de Ingeniería Química. Instituto de Ingeniería Electroquímica y Corrosión; Argentina
Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Materia
Adatoms
Atom-Solid Interaction
Density Functional Calculations
Graphite
Silver
Surface Energy
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/37244
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/37244
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Formation of Ag nanowires on graphite stepped surfaces: A DFT studyAmbrusi, Rubén EduardoGarcia, Silvana GracielaPronsato, Maria EstelaAdatomsAtom-Solid InteractionDensity Functional CalculationsGraphiteSilverSurface Energyhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2We investigate the feasibility of obtaining silver nanowires on graphite stepped surfaces theoretically, using density functional theory calculations. Three layer slabs are used to model graphite surfaces with and without defects. Adsorption energies for Ag atoms on graphite surfaces were calculated showing the preference of Ag adatoms to locate on the steps, forming linear structures like nanowires. An analysis of the charge densities and projected densities of states for different structures is also performed.Fil: Ambrusi, Rubén Eduardo. Universidad Nacional del Sur. Departamento de Ingeniería Química. Instituto de Ingeniería Electroquímica y Corrosión; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca; ArgentinaFil: Garcia, Silvana Graciela. Universidad Nacional del Sur. Departamento de Ingeniería Química. Instituto de Ingeniería Electroquímica y Corrosión; ArgentinaFil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaElsevier Science2015-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/37244Ambrusi, Rubén Eduardo; Garcia, Silvana Graciela; Pronsato, Maria Estela; Formation of Ag nanowires on graphite stepped surfaces: A DFT study; Elsevier Science; Applied Surface Science; 324; 1-2015; 710-7170169-4332CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S016943321402488Xinfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2014.11.023info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:09:18Zoai:ri.conicet.gov.ar:11336/37244instacron: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:34982025-09-03 10:09:18.815CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Formation of Ag nanowires on graphite stepped surfaces: A DFT study
title Formation of Ag nanowires on graphite stepped surfaces: A DFT study
spellingShingle Formation of Ag nanowires on graphite stepped surfaces: A DFT study
Ambrusi, Rubén Eduardo
Adatoms
Atom-Solid Interaction
Density Functional Calculations
Graphite
Silver
Surface Energy
title_short Formation of Ag nanowires on graphite stepped surfaces: A DFT study
title_full Formation of Ag nanowires on graphite stepped surfaces: A DFT study
title_fullStr Formation of Ag nanowires on graphite stepped surfaces: A DFT study
title_full_unstemmed Formation of Ag nanowires on graphite stepped surfaces: A DFT study
title_sort Formation of Ag nanowires on graphite stepped surfaces: A DFT study
dc.creator.none.fl_str_mv Ambrusi, Rubén Eduardo
Garcia, Silvana Graciela
Pronsato, Maria Estela
author Ambrusi, Rubén Eduardo
author_facet Ambrusi, Rubén Eduardo
Garcia, Silvana Graciela
Pronsato, Maria Estela
author_role author
author2 Garcia, Silvana Graciela
Pronsato, Maria Estela
author2_role author
author
dc.subject.none.fl_str_mv Adatoms
Atom-Solid Interaction
Density Functional Calculations
Graphite
Silver
Surface Energy
topic Adatoms
Atom-Solid Interaction
Density Functional Calculations
Graphite
Silver
Surface Energy
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv We investigate the feasibility of obtaining silver nanowires on graphite stepped surfaces theoretically, using density functional theory calculations. Three layer slabs are used to model graphite surfaces with and without defects. Adsorption energies for Ag atoms on graphite surfaces were calculated showing the preference of Ag adatoms to locate on the steps, forming linear structures like nanowires. An analysis of the charge densities and projected densities of states for different structures is also performed.
Fil: Ambrusi, Rubén Eduardo. Universidad Nacional del Sur. Departamento de Ingeniería Química. Instituto de Ingeniería Electroquímica y Corrosión; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca; Argentina
Fil: Garcia, Silvana Graciela. Universidad Nacional del Sur. Departamento de Ingeniería Química. Instituto de Ingeniería Electroquímica y Corrosión; Argentina
Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
description We investigate the feasibility of obtaining silver nanowires on graphite stepped surfaces theoretically, using density functional theory calculations. Three layer slabs are used to model graphite surfaces with and without defects. Adsorption energies for Ag atoms on graphite surfaces were calculated showing the preference of Ag adatoms to locate on the steps, forming linear structures like nanowires. An analysis of the charge densities and projected densities of states for different structures is also performed.
publishDate 2015
dc.date.none.fl_str_mv 2015-01
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/11336/37244
Ambrusi, Rubén Eduardo; Garcia, Silvana Graciela; Pronsato, Maria Estela; Formation of Ag nanowires on graphite stepped surfaces: A DFT study; Elsevier Science; Applied Surface Science; 324; 1-2015; 710-717
0169-4332
CONICET Digital
CONICET
url http://hdl.handle.net/11336/37244
identifier_str_mv Ambrusi, Rubén Eduardo; Garcia, Silvana Graciela; Pronsato, Maria Estela; Formation of Ag nanowires on graphite stepped surfaces: A DFT study; Elsevier Science; Applied Surface Science; 324; 1-2015; 710-717
0169-4332
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S016943321402488X
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2014.11.023
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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_ 1842270075709554688
score 13.13397

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