Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study

In the present work, we study the adsorption of different monomolecular species on nanoparticles with different sizes and geometries using a grand canonical Monte Carlo method. These species are characterized by repulsive lateral interactions between themselves, as takes place in the case of the ads...

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Autores: Pinto, Oscar Alejandro, Lopez, Beatriz Alicia, Leiva, Ezequiel Pedro M., Oviedo, Oscar Alejandro
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2016
País:Argentina
Recursos:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/46530
Acesso em linha:http://hdl.handle.net/11336/46530
Access Level:acceso abierto
Palavra-chave:ADSORPTION
NANOPARTICLES
GRAND CANONICAL MONTE 1 CARLO
REPULSIVE INTERACTION
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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network_name_str Argentina
repository_id_str
spelling Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo studyPinto, Oscar AlejandroLopez, Beatriz AliciaLeiva, Ezequiel Pedro M.Oviedo, Oscar AlejandroADSORPTIONNANOPARTICLESGRAND CANONICAL MONTE 1 CARLOREPULSIVE INTERACTIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In the present work, we study the adsorption of different monomolecular species on nanoparticles with different sizes and geometries using a grand canonical Monte Carlo method. These species are characterized by repulsive lateral interactions between themselves, as takes place in the case of the adsorption of partially charged atoms or molecules. Nanosize effects are analyzed in terms of adsorption on edge and facet sites. The energy minimization in these systems comes out as a complex conjugation of the repulsive lateral interactions between the adsorbates and the attractive interactions of<br />the adsorbates with the nanoparticle. The phenomenon is analyzed as a function of the occurrence of different ordered structures being formed on the surface of the nanoparticle. We find that layers with different structures may coexist on different facets of the nanoparticle. Finally, a discussion of deposition on flat surfaces and in finite systems is given.Fil: Pinto, Oscar Alejandro. Universidad Nacional de Santiago del Estero. Instituto de Bionanotecnología del Noa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Bionanotecnología del Noa; ArgentinaFil: Lopez, Beatriz Alicia. Universidad Nacional de Santiago del Estero. Instituto de Bionanotecnología del Noa. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tucumán. Instituto de Bionanotecnología del Noa; 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; 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; ArgentinaRoyal Society of Chemistry2016-05info: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/11336/46530Pinto, Oscar Alejandro; Lopez, Beatriz Alicia; Leiva, Ezequiel Pedro M.; Oviedo, Oscar Alejandro; Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 18; 21; 5-2016; 14610-146181463-9076CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/C6CP01236Ainfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2016/cp/c6cp01236ainfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:02:59Zoai:ri.conicet.gov.ar:11336/46530instacron: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:34982024-05-08 14:02:59.338CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
title Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
spellingShingle Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
Pinto, Oscar Alejandro
ADSORPTION
NANOPARTICLES
GRAND CANONICAL MONTE 1 CARLO
REPULSIVE INTERACTION
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
title_short Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
title_full Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
title_fullStr Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
title_full_unstemmed Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
title_sort Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study
dc.creator.none.fl_str_mv Pinto, Oscar Alejandro
Lopez, Beatriz Alicia
Leiva, Ezequiel Pedro M.
Oviedo, Oscar Alejandro
author Pinto, Oscar Alejandro
author_facet Pinto, Oscar Alejandro
Lopez, Beatriz Alicia
Leiva, Ezequiel Pedro M.
Oviedo, Oscar Alejandro
author_role author
author2 Lopez, Beatriz Alicia
Leiva, Ezequiel Pedro M.
Oviedo, Oscar Alejandro
author2_role author
author
author
dc.subject.none.fl_str_mv ADSORPTION
NANOPARTICLES
GRAND CANONICAL MONTE 1 CARLO
REPULSIVE INTERACTION
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
topic ADSORPTION
NANOPARTICLES
GRAND CANONICAL MONTE 1 CARLO
REPULSIVE INTERACTION
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
description In the present work, we study the adsorption of different monomolecular species on nanoparticles with different sizes and geometries using a grand canonical Monte Carlo method. These species are characterized by repulsive lateral interactions between themselves, as takes place in the case of the adsorption of partially charged atoms or molecules. Nanosize effects are analyzed in terms of adsorption on edge and facet sites. The energy minimization in these systems comes out as a complex conjugation of the repulsive lateral interactions between the adsorbates and the attractive interactions of<br />the adsorbates with the nanoparticle. The phenomenon is analyzed as a function of the occurrence of different ordered structures being formed on the surface of the nanoparticle. We find that layers with different structures may coexist on different facets of the nanoparticle. Finally, a discussion of deposition on flat surfaces and in finite systems is given.
publishDate 2016
dc.date.none.fl_str_mv 2016-05
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/11336/46530
Pinto, Oscar Alejandro; Lopez, Beatriz Alicia; Leiva, Ezequiel Pedro M.; Oviedo, Oscar Alejandro; Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 18; 21; 5-2016; 14610-14618
1463-9076
CONICET Digital
CONICET
url http://hdl.handle.net/11336/46530
identifier_str_mv Pinto, Oscar Alejandro; Lopez, Beatriz Alicia; Leiva, Ezequiel Pedro M.; Oviedo, Oscar Alejandro; Monomolecular adsorption on nanoparticles with repulsive interactions: a Monte Carlo study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 18; 21; 5-2016; 14610-14618
1463-9076
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/C6CP01236A
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/content/articlelanding/2016/cp/c6cp01236a
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 Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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 15,81155

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