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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/69698
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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 Técnicas2025-09-29T09:45:26Zoai: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:34982025-09-29 09:45:26.551CONICET 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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1844613425055924224 |
score |
13.070432 |