Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media

Autores
Reinaudi, Luis; Gimenez, Maria Cecilia
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The melting and subsequent freezing of Ag and Au nanoclusters consisting of 55 and 147 atoms and interacting with a surfactant medium is studied by Monte Carlo simulations using the embeddedatom method. In our model, the interaction with the surfactant medium is represented by an additional energy term (Q) associated to a surface atom. We observe a decrease in the transition temperature (melting point) with the increase of the value of Q. In some of the systems, before the melting, a solid–solid structural transition takes place as the temperature increases. For large values of the parameter Q, the structures obtained from the freezing tend to have morphologies that have a larger fraction of atoms at the surface and which would be otherwise unstable.
Fil: Reinaudi, Luis. 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: Gimenez, Maria Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Materia
Metal Nanoparticle
Melting
Monte Carlo 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:11336/25807
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/25807
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant mediaReinaudi, LuisGimenez, Maria CeciliaMetal NanoparticleMeltingMonte Carlo Simulationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2The melting and subsequent freezing of Ag and Au nanoclusters consisting of 55 and 147 atoms and interacting with a surfactant medium is studied by Monte Carlo simulations using the embeddedatom method. In our model, the interaction with the surfactant medium is represented by an additional energy term (Q) associated to a surface atom. We observe a decrease in the transition temperature (melting point) with the increase of the value of Q. In some of the systems, before the melting, a solid–solid structural transition takes place as the temperature increases. For large values of the parameter Q, the structures obtained from the freezing tend to have morphologies that have a larger fraction of atoms at the surface and which would be otherwise unstable.Fil: Reinaudi, Luis. 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: Gimenez, Maria Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaAmerican Scientific Publishers2013-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/25807Reinaudi, Luis; Gimenez, Maria Cecilia; Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media; American Scientific Publishers; Journal Of Computational And Theoretical Nanoscience; 10; 10; 10-2013; 2507-25191546-1955CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1166/jctn.2013.3240info:eu-repo/semantics/altIdentifier/url/http://www.ingentaconnect.com/content/asp/jctn/2013/00000010/00000010/art00034info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-17T11:15:04Zoai:ri.conicet.gov.ar:11336/25807instacron: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:34982025-09-17 11:15:04.457CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
title Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
spellingShingle Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
Reinaudi, Luis
Metal Nanoparticle
Melting
Monte Carlo Simulation
title_short Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
title_full Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
title_fullStr Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
title_full_unstemmed Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
title_sort Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media
dc.creator.none.fl_str_mv Reinaudi, Luis
Gimenez, Maria Cecilia
author Reinaudi, Luis
author_facet Reinaudi, Luis
Gimenez, Maria Cecilia
author_role author
author2 Gimenez, Maria Cecilia
author2_role author
dc.subject.none.fl_str_mv Metal Nanoparticle
Melting
Monte Carlo Simulation
topic Metal Nanoparticle
Melting
Monte Carlo Simulation
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 The melting and subsequent freezing of Ag and Au nanoclusters consisting of 55 and 147 atoms and interacting with a surfactant medium is studied by Monte Carlo simulations using the embeddedatom method. In our model, the interaction with the surfactant medium is represented by an additional energy term (Q) associated to a surface atom. We observe a decrease in the transition temperature (melting point) with the increase of the value of Q. In some of the systems, before the melting, a solid–solid structural transition takes place as the temperature increases. For large values of the parameter Q, the structures obtained from the freezing tend to have morphologies that have a larger fraction of atoms at the surface and which would be otherwise unstable.
Fil: Reinaudi, Luis. 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: Gimenez, Maria Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
description The melting and subsequent freezing of Ag and Au nanoclusters consisting of 55 and 147 atoms and interacting with a surfactant medium is studied by Monte Carlo simulations using the embeddedatom method. In our model, the interaction with the surfactant medium is represented by an additional energy term (Q) associated to a surface atom. We observe a decrease in the transition temperature (melting point) with the increase of the value of Q. In some of the systems, before the melting, a solid–solid structural transition takes place as the temperature increases. For large values of the parameter Q, the structures obtained from the freezing tend to have morphologies that have a larger fraction of atoms at the surface and which would be otherwise unstable.
publishDate 2013
dc.date.none.fl_str_mv 2013-10
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/11336/25807
Reinaudi, Luis; Gimenez, Maria Cecilia; Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media; American Scientific Publishers; Journal Of Computational And Theoretical Nanoscience; 10; 10; 10-2013; 2507-2519
1546-1955
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25807
identifier_str_mv Reinaudi, Luis; Gimenez, Maria Cecilia; Monte Carlo simulation of Gold and Silver nanoparticles in interaction with strongly surfactant media; American Scientific Publishers; Journal Of Computational And Theoretical Nanoscience; 10; 10; 10-2013; 2507-2519
1546-1955
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1166/jctn.2013.3240
info:eu-repo/semantics/altIdentifier/url/http://www.ingentaconnect.com/content/asp/jctn/2013/00000010/00000010/art00034
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
dc.publisher.none.fl_str_mv American Scientific Publishers
publisher.none.fl_str_mv American Scientific Publishers
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 13.001348

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