On the selective decoration of facets in metallic nanoparticles

Autores
Mariscal, Marcelo; Oviedo, Oscar Alejandro; Leiva, Ezequiel Pedro M.
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This work presents key modeling aspects that are central to the manipulation of the decoration of metallic nanoparticles by a thin shell of a metal of different chemical nature. The concept of underpotential deposition is generalized to nanoparticles. An all-atom model, taking into account many-body interactions by means of the embedded atom potential, was used to represent nanoparticles of different sizes and atomic adsorbates on them. A full set of state-of-the-art computer simulations are performed for a model system, showing that selective decoration of facets is possible. The trends observed in the present work are in good qualitative agreement with experimental data reported very recently. © 2012 Materials Research Society.
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Oviedo, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
Core-Shell
Upd
Nanoparticles
Computer Simulation
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:11336/62145
Acceder
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network_name_str CONICET Digital (CONICET)
spelling On the selective decoration of facets in metallic nanoparticlesMariscal, MarceloOviedo, Oscar AlejandroLeiva, Ezequiel Pedro M.Core-ShellUpdNanoparticlesComputer Simulationhttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2This work presents key modeling aspects that are central to the manipulation of the decoration of metallic nanoparticles by a thin shell of a metal of different chemical nature. The concept of underpotential deposition is generalized to nanoparticles. An all-atom model, taking into account many-body interactions by means of the embedded atom potential, was used to represent nanoparticles of different sizes and atomic adsorbates on them. A full set of state-of-the-art computer simulations are performed for a model system, showing that selective decoration of facets is possible. The trends observed in the present work are in good qualitative agreement with experimental data reported very recently. © 2012 Materials Research Society.Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Oviedo, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaMaterials Research Society2012-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/62145Mariscal, Marcelo; Oviedo, Oscar Alejandro; Leiva, Ezequiel Pedro M.; On the selective decoration of facets in metallic nanoparticles; Materials Research Society; Journal Of Materials Research; 27; 14; 7-2012; 1777-17860884-2914CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1557/jmr.2012.132info:eu-repo/semantics/altIdentifier/url/https://www.cambridge.org/core/journals/journal-of-materials-research/article/on-the-selective-decoration-of-facets-in-metallic-nanoparticles/D392AC0C047189986431FF64AAC8533Ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T14:46:25Zoai:ri.conicet.gov.ar:11336/62145instacron: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:34982025-12-23 14:46:26.226CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the selective decoration of facets in metallic nanoparticles
title On the selective decoration of facets in metallic nanoparticles
spellingShingle On the selective decoration of facets in metallic nanoparticles
Mariscal, Marcelo
Core-Shell
Upd
Nanoparticles
Computer Simulation
title_short On the selective decoration of facets in metallic nanoparticles
title_full On the selective decoration of facets in metallic nanoparticles
title_fullStr On the selective decoration of facets in metallic nanoparticles
title_full_unstemmed On the selective decoration of facets in metallic nanoparticles
title_sort On the selective decoration of facets in metallic nanoparticles
dc.creator.none.fl_str_mv Mariscal, Marcelo
Oviedo, Oscar Alejandro
Leiva, Ezequiel Pedro M.
author Mariscal, Marcelo
author_facet Mariscal, Marcelo
Oviedo, Oscar Alejandro
Leiva, Ezequiel Pedro M.
author_role author
author2 Oviedo, Oscar Alejandro
Leiva, Ezequiel Pedro M.
author2_role author
author
dc.subject.none.fl_str_mv Core-Shell
Upd
Nanoparticles
Computer Simulation
topic Core-Shell
Upd
Nanoparticles
Computer Simulation
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv This work presents key modeling aspects that are central to the manipulation of the decoration of metallic nanoparticles by a thin shell of a metal of different chemical nature. The concept of underpotential deposition is generalized to nanoparticles. An all-atom model, taking into account many-body interactions by means of the embedded atom potential, was used to represent nanoparticles of different sizes and atomic adsorbates on them. A full set of state-of-the-art computer simulations are performed for a model system, showing that selective decoration of facets is possible. The trends observed in the present work are in good qualitative agreement with experimental data reported very recently. © 2012 Materials Research Society.
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Oviedo, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description This work presents key modeling aspects that are central to the manipulation of the decoration of metallic nanoparticles by a thin shell of a metal of different chemical nature. The concept of underpotential deposition is generalized to nanoparticles. An all-atom model, taking into account many-body interactions by means of the embedded atom potential, was used to represent nanoparticles of different sizes and atomic adsorbates on them. A full set of state-of-the-art computer simulations are performed for a model system, showing that selective decoration of facets is possible. The trends observed in the present work are in good qualitative agreement with experimental data reported very recently. © 2012 Materials Research Society.
publishDate 2012
dc.date.none.fl_str_mv 2012-07
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/11336/62145
Mariscal, Marcelo; Oviedo, Oscar Alejandro; Leiva, Ezequiel Pedro M.; On the selective decoration of facets in metallic nanoparticles; Materials Research Society; Journal Of Materials Research; 27; 14; 7-2012; 1777-1786
0884-2914
CONICET Digital
CONICET
url http://hdl.handle.net/11336/62145
identifier_str_mv Mariscal, Marcelo; Oviedo, Oscar Alejandro; Leiva, Ezequiel Pedro M.; On the selective decoration of facets in metallic nanoparticles; Materials Research Society; Journal Of Materials Research; 27; 14; 7-2012; 1777-1786
0884-2914
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1557/jmr.2012.132
info:eu-repo/semantics/altIdentifier/url/https://www.cambridge.org/core/journals/journal-of-materials-research/article/on-the-selective-decoration-of-facets-in-metallic-nanoparticles/D392AC0C047189986431FF64AAC8533A
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 Materials Research Society
publisher.none.fl_str_mv Materials Research Society
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 13.049097

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