Atomistic modeling of Ag, Au, and Pt nanoframes

Autores
Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Bozzolo, Guillermo; Mosca, Hugo Osvaldo; del Grosso, Mariela Fernanda
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original shape to either a cluster of nanoparticles after all sides of the frame are broken, or to a large cluster after collapsing onto its own internal void. The mechanisms by which these two behaviors take place are discussed within the framework of a simple rule which determines the relationship between the structural factors (side and width) that characterize the transition from one to the other.
Fil: Fioressi, Silvina Ethel. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Bacelo, Daniel Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina
Fil: Bozzolo, Guillermo. Loyola University; Estados Unidos
Fil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: del Grosso, Mariela Fernanda. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
BFS method
Nanoframes
Metallic nanocages
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:11336/110763
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Atomistic modeling of Ag, Au, and Pt nanoframesFioressi, Silvina EthelBacelo, Daniel EnriqueBozzolo, GuillermoMosca, Hugo Osvaldodel Grosso, Mariela FernandaBFS methodNanoframesMetallic nanocageshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original shape to either a cluster of nanoparticles after all sides of the frame are broken, or to a large cluster after collapsing onto its own internal void. The mechanisms by which these two behaviors take place are discussed within the framework of a simple rule which determines the relationship between the structural factors (side and width) that characterize the transition from one to the other.Fil: Fioressi, Silvina Ethel. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Bacelo, Daniel Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; ArgentinaFil: Bozzolo, Guillermo. Loyola University; Estados UnidosFil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: del Grosso, Mariela Fernanda. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaElsevier Science2015-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/110763Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Bozzolo, Guillermo; Mosca, Hugo Osvaldo; del Grosso, Mariela Fernanda; Atomistic modeling of Ag, Au, and Pt nanoframes; Elsevier Science; Computational Materials Science; 98; 2-2015; 142-1480927-0256CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.commatsci.2014.11.003info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:59:01Zoai:ri.conicet.gov.ar:11336/110763instacron: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:34982025-09-29 09:59:01.736CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Atomistic modeling of Ag, Au, and Pt nanoframes
title Atomistic modeling of Ag, Au, and Pt nanoframes
spellingShingle Atomistic modeling of Ag, Au, and Pt nanoframes
Fioressi, Silvina Ethel
BFS method
Nanoframes
Metallic nanocages
title_short Atomistic modeling of Ag, Au, and Pt nanoframes
title_full Atomistic modeling of Ag, Au, and Pt nanoframes
title_fullStr Atomistic modeling of Ag, Au, and Pt nanoframes
title_full_unstemmed Atomistic modeling of Ag, Au, and Pt nanoframes
title_sort Atomistic modeling of Ag, Au, and Pt nanoframes
dc.creator.none.fl_str_mv Fioressi, Silvina Ethel
Bacelo, Daniel Enrique
Bozzolo, Guillermo
Mosca, Hugo Osvaldo
del Grosso, Mariela Fernanda
author Fioressi, Silvina Ethel
author_facet Fioressi, Silvina Ethel
Bacelo, Daniel Enrique
Bozzolo, Guillermo
Mosca, Hugo Osvaldo
del Grosso, Mariela Fernanda
author_role author
author2 Bacelo, Daniel Enrique
Bozzolo, Guillermo
Mosca, Hugo Osvaldo
del Grosso, Mariela Fernanda
author2_role author
author
author
author
dc.subject.none.fl_str_mv BFS method
Nanoframes
Metallic nanocages
topic BFS method
Nanoframes
Metallic nanocages
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original shape to either a cluster of nanoparticles after all sides of the frame are broken, or to a large cluster after collapsing onto its own internal void. The mechanisms by which these two behaviors take place are discussed within the framework of a simple rule which determines the relationship between the structural factors (side and width) that characterize the transition from one to the other.
Fil: Fioressi, Silvina Ethel. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Bacelo, Daniel Enrique. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Belgrano. Facultad de Ciencias Exactas y Naturales. Departamento de Química; Argentina
Fil: Bozzolo, Guillermo. Loyola University; Estados Unidos
Fil: Mosca, Hugo Osvaldo. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: del Grosso, Mariela Fernanda. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Gerencia de Investigación y Aplicaciones; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description Cubic monoatomic nanoframes of Ag, Au, and Pt were modeled in terms of their evolution with temperature. Using an approximate quantum method for the energetics, Monte Carlo atomistic simulations were performed to determine the critical temperatures at which the nanoframe evolves from its original shape to either a cluster of nanoparticles after all sides of the frame are broken, or to a large cluster after collapsing onto its own internal void. The mechanisms by which these two behaviors take place are discussed within the framework of a simple rule which determines the relationship between the structural factors (side and width) that characterize the transition from one to the other.
publishDate 2015
dc.date.none.fl_str_mv 2015-02
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/11336/110763
Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Bozzolo, Guillermo; Mosca, Hugo Osvaldo; del Grosso, Mariela Fernanda; Atomistic modeling of Ag, Au, and Pt nanoframes; Elsevier Science; Computational Materials Science; 98; 2-2015; 142-148
0927-0256
CONICET Digital
CONICET
url http://hdl.handle.net/11336/110763
identifier_str_mv Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Bozzolo, Guillermo; Mosca, Hugo Osvaldo; del Grosso, Mariela Fernanda; Atomistic modeling of Ag, Au, and Pt nanoframes; Elsevier Science; Computational Materials Science; 98; 2-2015; 142-148
0927-0256
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.commatsci.2014.11.003
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
application/pdf
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
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score 13.070432

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