On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study

Autores
Mariscal, Marcelo; Olmos Asar, Jimena Anahí; Gutierrez Wing, C.; Mayoral, José A.; Yacamán, Miguel Jose
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present work new findings on the structure of the S-Au interface are presented. Theoretical calculations using a new semiempirical potential, based on density functional theory and a bond-order Morse potential, are employed to simulate the adsorption process in a more realistic way. The simulation results reveal the formation of gold adatoms on the nanoparticle surface and high surface disorder due to the strong S-Au bond. Experimental data were acquired by aberration (Cs) corrected scanning transmission electron microscopy (STEM) using a high angle annular dark field detector (HAADF) that showed a great similarity with the theory predicted.
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. University of Texas; Estados Unidos
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: Gutierrez Wing, C.. University of Texas; Estados Unidos. Universidad Nacional Autónoma de México. Instituto de Ciencias Nucleares; México
Fil: Mayoral, José A.. University of Texas; Estados Unidos
Fil: Yacamán, Miguel Jose. University of Texas; Estados Unidos
Materia
Nanoparticles
Thiol-Protected
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:11336/69698
Acceder
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spelling On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical studyMariscal, MarceloOlmos Asar, Jimena AnahíGutierrez Wing, C.Mayoral, José A.Yacamán, Miguel JoseNanoparticlesThiol-Protectedhttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2In the present work new findings on the structure of the S-Au interface are presented. Theoretical calculations using a new semiempirical potential, based on density functional theory and a bond-order Morse potential, are employed to simulate the adsorption process in a more realistic way. The simulation results reveal the formation of gold adatoms on the nanoparticle surface and high surface disorder due to the strong S-Au bond. Experimental data were acquired by aberration (Cs) corrected scanning transmission electron microscopy (STEM) using a high angle annular dark field detector (HAADF) that showed a great similarity with the theory predicted.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. University of Texas; Estados UnidosFil: 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: Gutierrez Wing, C.. University of Texas; Estados Unidos. Universidad Nacional Autónoma de México. Instituto de Ciencias Nucleares; MéxicoFil: Mayoral, José A.. University of Texas; Estados UnidosFil: Yacamán, Miguel Jose. University of Texas; Estados UnidosRoyal Society of Chemistry2010-07-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/69698Mariscal, Marcelo; Olmos Asar, Jimena Anahí; Gutierrez Wing, C.; Mayoral, José A.; Yacamán, Miguel Jose; On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 37; 9-7-2010; 11785-117901463-90761463-9084CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/c004229cinfo:eu-repo/semantics/altIdentifier/doi/10.1039/c004229cinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:39:02Zoai:ri.conicet.gov.ar:11336/69698instacron: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:34982025-10-15 14:39:03.079CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
title On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
spellingShingle On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
Mariscal, Marcelo
Nanoparticles
Thiol-Protected
title_short On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
title_full On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
title_fullStr On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
title_full_unstemmed On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
title_sort On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study
dc.creator.none.fl_str_mv Mariscal, Marcelo
Olmos Asar, Jimena Anahí
Gutierrez Wing, C.
Mayoral, José A.
Yacamán, Miguel Jose
author Mariscal, Marcelo
author_facet Mariscal, Marcelo
Olmos Asar, Jimena Anahí
Gutierrez Wing, C.
Mayoral, José A.
Yacamán, Miguel Jose
author_role author
author2 Olmos Asar, Jimena Anahí
Gutierrez Wing, C.
Mayoral, José A.
Yacamán, Miguel Jose
author2_role author
author
author
author
dc.subject.none.fl_str_mv Nanoparticles
Thiol-Protected
topic Nanoparticles
Thiol-Protected
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv In the present work new findings on the structure of the S-Au interface are presented. Theoretical calculations using a new semiempirical potential, based on density functional theory and a bond-order Morse potential, are employed to simulate the adsorption process in a more realistic way. The simulation results reveal the formation of gold adatoms on the nanoparticle surface and high surface disorder due to the strong S-Au bond. Experimental data were acquired by aberration (Cs) corrected scanning transmission electron microscopy (STEM) using a high angle annular dark field detector (HAADF) that showed a great similarity with the theory predicted.
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. University of Texas; Estados Unidos
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: Gutierrez Wing, C.. University of Texas; Estados Unidos. Universidad Nacional Autónoma de México. Instituto de Ciencias Nucleares; México
Fil: Mayoral, José A.. University of Texas; Estados Unidos
Fil: Yacamán, Miguel Jose. University of Texas; Estados Unidos
description In the present work new findings on the structure of the S-Au interface are presented. Theoretical calculations using a new semiempirical potential, based on density functional theory and a bond-order Morse potential, are employed to simulate the adsorption process in a more realistic way. The simulation results reveal the formation of gold adatoms on the nanoparticle surface and high surface disorder due to the strong S-Au bond. Experimental data were acquired by aberration (Cs) corrected scanning transmission electron microscopy (STEM) using a high angle annular dark field detector (HAADF) that showed a great similarity with the theory predicted.
publishDate 2010
dc.date.none.fl_str_mv 2010-07-09
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/11336/69698
Mariscal, Marcelo; Olmos Asar, Jimena Anahí; Gutierrez Wing, C.; Mayoral, José A.; Yacamán, Miguel Jose; On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 37; 9-7-2010; 11785-11790
1463-9076
1463-9084
CONICET Digital
CONICET
url http://hdl.handle.net/11336/69698
identifier_str_mv Mariscal, Marcelo; Olmos Asar, Jimena Anahí; Gutierrez Wing, C.; Mayoral, José A.; Yacamán, Miguel Jose; On the atomic structure of thiol-protected gold nanoparticles: A combined experimental and theoretical study; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 37; 9-7-2010; 11785-11790
1463-9076
1463-9084
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/2010/CP/c004229c
info:eu-repo/semantics/altIdentifier/doi/10.1039/c004229c
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 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 13.22299

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