Nanoalloying in real time: A high resolution STEM and computer simulation study

Autores
Mariscal, Marcelo; Mayoral, Alba; Olmos Asar, Jimena Anahí; Magen, César; Mejia Rosales, Sergio Javier; Pérez Tijerina, Eduardo; José Yacamán, Miguel
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Bimetallic nanoparticles constitute a promising type of catalysts, mainly because their physical and chemical properties may be tuned by varying their chemical composition, atomic ordering, and size. Today, the design of novel nanocatalysts is possible through a combination of virtual lab simulations on massive parallel computing and modern electron microscopy with picometre resolution on one hand, and the capability of chemical analysis at the atomic scale on the other. In this work we show how the combination of theoretical calculations and characterization can solve some of the paradoxes reported about nanocatalysts: Au-Pd bimetallic nanoparticles. In particular, we demonstrate the key role played by adsorbates, such as carbon monoxide (CO), on the structure of nanoalloys. Our results imply that surface condition of nanoparticles during synthesis is a parameter of paramount importance.
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: Mayoral, Alba. Universidad de Zaragoza. Instituto de Nanociencia de Aragón; España
Fil: Olmos Asar, Jimena Anahí. 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: Magen, César. Universidad de Zaragoza. Instituto de Nanociencia de Aragón; España
Fil: Mejia Rosales, Sergio Javier. Universidad Autónoma de Nuevo León; México
Fil: Pérez Tijerina, Eduardo. Universidad Autónoma de Nuevo León; México
Fil: José Yacamán, Miguel. University of Texas; Estados Unidos
Materia
Nanoparticles
Nanoalloys
Stem
Simulations
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:11336/62850
Acceder
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spelling Nanoalloying in real time: A high resolution STEM and computer simulation studyMariscal, MarceloMayoral, AlbaOlmos Asar, Jimena AnahíMagen, CésarMejia Rosales, Sergio JavierPérez Tijerina, EduardoJosé Yacamán, MiguelNanoparticlesNanoalloysStemSimulationshttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2Bimetallic nanoparticles constitute a promising type of catalysts, mainly because their physical and chemical properties may be tuned by varying their chemical composition, atomic ordering, and size. Today, the design of novel nanocatalysts is possible through a combination of virtual lab simulations on massive parallel computing and modern electron microscopy with picometre resolution on one hand, and the capability of chemical analysis at the atomic scale on the other. In this work we show how the combination of theoretical calculations and characterization can solve some of the paradoxes reported about nanocatalysts: Au-Pd bimetallic nanoparticles. In particular, we demonstrate the key role played by adsorbates, such as carbon monoxide (CO), on the structure of nanoalloys. Our results imply that surface condition of nanoparticles during synthesis is a parameter of paramount importance.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: Mayoral, Alba. Universidad de Zaragoza. Instituto de Nanociencia de Aragón; EspañaFil: Olmos Asar, Jimena Anahí. 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: Magen, César. Universidad de Zaragoza. Instituto de Nanociencia de Aragón; EspañaFil: Mejia Rosales, Sergio Javier. Universidad Autónoma de Nuevo León; MéxicoFil: Pérez Tijerina, Eduardo. Universidad Autónoma de Nuevo León; MéxicoFil: José Yacamán, Miguel. University of Texas; Estados UnidosRoyal Society of Chemistry2011-12-28info: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/11336/62850Mariscal, Marcelo; Mayoral, Alba; Olmos Asar, Jimena Anahí; Magen, César; Mejia Rosales, Sergio Javier; et al.; Nanoalloying in real time: A high resolution STEM and computer simulation study; Royal Society of Chemistry; Nanoscale; 3; 12; 28-12-2011; 5013-50192040-33642040-3372CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2011/nr/c1nr11052ginfo:eu-repo/semantics/altIdentifier/doi/10.1039/C1NR11052Ginfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:40:41Zoai:ri.conicet.gov.ar:11336/62850instacron: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 10:40:41.521CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Nanoalloying in real time: A high resolution STEM and computer simulation study
title Nanoalloying in real time: A high resolution STEM and computer simulation study
spellingShingle Nanoalloying in real time: A high resolution STEM and computer simulation study
Mariscal, Marcelo
Nanoparticles
Nanoalloys
Stem
Simulations
title_short Nanoalloying in real time: A high resolution STEM and computer simulation study
title_full Nanoalloying in real time: A high resolution STEM and computer simulation study
title_fullStr Nanoalloying in real time: A high resolution STEM and computer simulation study
title_full_unstemmed Nanoalloying in real time: A high resolution STEM and computer simulation study
title_sort Nanoalloying in real time: A high resolution STEM and computer simulation study
dc.creator.none.fl_str_mv Mariscal, Marcelo
Mayoral, Alba
Olmos Asar, Jimena Anahí
Magen, César
Mejia Rosales, Sergio Javier
Pérez Tijerina, Eduardo
José Yacamán, Miguel
author Mariscal, Marcelo
author_facet Mariscal, Marcelo
Mayoral, Alba
Olmos Asar, Jimena Anahí
Magen, César
Mejia Rosales, Sergio Javier
Pérez Tijerina, Eduardo
José Yacamán, Miguel
author_role author
author2 Mayoral, Alba
Olmos Asar, Jimena Anahí
Magen, César
Mejia Rosales, Sergio Javier
Pérez Tijerina, Eduardo
José Yacamán, Miguel
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Nanoparticles
Nanoalloys
Stem
Simulations
topic Nanoparticles
Nanoalloys
Stem
Simulations
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Bimetallic nanoparticles constitute a promising type of catalysts, mainly because their physical and chemical properties may be tuned by varying their chemical composition, atomic ordering, and size. Today, the design of novel nanocatalysts is possible through a combination of virtual lab simulations on massive parallel computing and modern electron microscopy with picometre resolution on one hand, and the capability of chemical analysis at the atomic scale on the other. In this work we show how the combination of theoretical calculations and characterization can solve some of the paradoxes reported about nanocatalysts: Au-Pd bimetallic nanoparticles. In particular, we demonstrate the key role played by adsorbates, such as carbon monoxide (CO), on the structure of nanoalloys. Our results imply that surface condition of nanoparticles during synthesis is a parameter of paramount importance.
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: Mayoral, Alba. Universidad de Zaragoza. Instituto de Nanociencia de Aragón; España
Fil: Olmos Asar, Jimena Anahí. 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: Magen, César. Universidad de Zaragoza. Instituto de Nanociencia de Aragón; España
Fil: Mejia Rosales, Sergio Javier. Universidad Autónoma de Nuevo León; México
Fil: Pérez Tijerina, Eduardo. Universidad Autónoma de Nuevo León; México
Fil: José Yacamán, Miguel. University of Texas; Estados Unidos
description Bimetallic nanoparticles constitute a promising type of catalysts, mainly because their physical and chemical properties may be tuned by varying their chemical composition, atomic ordering, and size. Today, the design of novel nanocatalysts is possible through a combination of virtual lab simulations on massive parallel computing and modern electron microscopy with picometre resolution on one hand, and the capability of chemical analysis at the atomic scale on the other. In this work we show how the combination of theoretical calculations and characterization can solve some of the paradoxes reported about nanocatalysts: Au-Pd bimetallic nanoparticles. In particular, we demonstrate the key role played by adsorbates, such as carbon monoxide (CO), on the structure of nanoalloys. Our results imply that surface condition of nanoparticles during synthesis is a parameter of paramount importance.
publishDate 2011
dc.date.none.fl_str_mv 2011-12-28
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/11336/62850
Mariscal, Marcelo; Mayoral, Alba; Olmos Asar, Jimena Anahí; Magen, César; Mejia Rosales, Sergio Javier; et al.; Nanoalloying in real time: A high resolution STEM and computer simulation study; Royal Society of Chemistry; Nanoscale; 3; 12; 28-12-2011; 5013-5019
2040-3364
2040-3372
CONICET Digital
CONICET
url http://hdl.handle.net/11336/62850
identifier_str_mv Mariscal, Marcelo; Mayoral, Alba; Olmos Asar, Jimena Anahí; Magen, César; Mejia Rosales, Sergio Javier; et al.; Nanoalloying in real time: A high resolution STEM and computer simulation study; Royal Society of Chemistry; Nanoscale; 3; 12; 28-12-2011; 5013-5019
2040-3364
2040-3372
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://pubs.rsc.org/en/content/articlelanding/2011/nr/c1nr11052g
info:eu-repo/semantics/altIdentifier/doi/10.1039/C1NR11052G
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 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
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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