Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces

Autores
Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Thiolated gold nanointerfaces play a key role in numerous fields of science, technology, as well as modern medicine to coat, functionalize, and protect. Our computational study reveals that the mechanical vs thermal stabilities of aliphatic thiolates on gold surfaces are strikingly different from those of aromatic thiolates. The aliphatic thiolates feature, at the same time, a higher thermal desorption energy but a lower mechanical rupture force than thiophenolates. Our analysis discloses that this most counterintuitive property is due to different mechanochemical detachment mechanisms. Electronic structure analyses along the detachment pathways trace this back to the distinct electronic properties of the SAu bond in stretched nanojunctions. The discoveries that it is a higher thermal stability that entails a lower mechanical stability and that mechanical loads generate different local nanostructures depending on the nature of the thiolate are highly relevant for the rational design of improved thiol-gold nanocontacts.
Fil: Zoloff Michoff, Martin Eduardo. Ruhr Universität Bochum; Alemania. 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: Ribas Arino, Jordi. Universidad de Barcelona; España. Ruhr Universität Bochum; Alemania
Fil: Marx, Dominik. Ruhr Universität Bochum; Alemania
Materia
THIOLATES
GOLD
MECHANICAL PROPERTIES
DFT
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:11336/120838
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold SurfacesZoloff Michoff, Martin EduardoRibas Arino, JordiMarx, DominikTHIOLATESGOLDMECHANICAL PROPERTIESDFThttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Thiolated gold nanointerfaces play a key role in numerous fields of science, technology, as well as modern medicine to coat, functionalize, and protect. Our computational study reveals that the mechanical vs thermal stabilities of aliphatic thiolates on gold surfaces are strikingly different from those of aromatic thiolates. The aliphatic thiolates feature, at the same time, a higher thermal desorption energy but a lower mechanical rupture force than thiophenolates. Our analysis discloses that this most counterintuitive property is due to different mechanochemical detachment mechanisms. Electronic structure analyses along the detachment pathways trace this back to the distinct electronic properties of the SAu bond in stretched nanojunctions. The discoveries that it is a higher thermal stability that entails a lower mechanical stability and that mechanical loads generate different local nanostructures depending on the nature of the thiolate are highly relevant for the rational design of improved thiol-gold nanocontacts.Fil: Zoloff Michoff, Martin Eduardo. Ruhr Universität Bochum; Alemania. 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: Ribas Arino, Jordi. Universidad de Barcelona; España. Ruhr Universität Bochum; AlemaniaFil: Marx, Dominik. Ruhr Universität Bochum; AlemaniaAmerican Physical Society2019-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/120838Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik; Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces; American Physical Society; Physical Review Letters; 122; 8; 2-2019; 1-60031-90071079-7114CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://link.aps.org/doi/10.1103/PhysRevLett.122.086801info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.122.086801info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:51:07Zoai:ri.conicet.gov.ar:11336/120838instacron: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:34982025-09-03 09:51:07.752CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
title Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
spellingShingle Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
Zoloff Michoff, Martin Eduardo
THIOLATES
GOLD
MECHANICAL PROPERTIES
DFT
title_short Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
title_full Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
title_fullStr Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
title_full_unstemmed Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
title_sort Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces
dc.creator.none.fl_str_mv Zoloff Michoff, Martin Eduardo
Ribas Arino, Jordi
Marx, Dominik
author Zoloff Michoff, Martin Eduardo
author_facet Zoloff Michoff, Martin Eduardo
Ribas Arino, Jordi
Marx, Dominik
author_role author
author2 Ribas Arino, Jordi
Marx, Dominik
author2_role author
author
dc.subject.none.fl_str_mv THIOLATES
GOLD
MECHANICAL PROPERTIES
DFT
topic THIOLATES
GOLD
MECHANICAL PROPERTIES
DFT
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Thiolated gold nanointerfaces play a key role in numerous fields of science, technology, as well as modern medicine to coat, functionalize, and protect. Our computational study reveals that the mechanical vs thermal stabilities of aliphatic thiolates on gold surfaces are strikingly different from those of aromatic thiolates. The aliphatic thiolates feature, at the same time, a higher thermal desorption energy but a lower mechanical rupture force than thiophenolates. Our analysis discloses that this most counterintuitive property is due to different mechanochemical detachment mechanisms. Electronic structure analyses along the detachment pathways trace this back to the distinct electronic properties of the SAu bond in stretched nanojunctions. The discoveries that it is a higher thermal stability that entails a lower mechanical stability and that mechanical loads generate different local nanostructures depending on the nature of the thiolate are highly relevant for the rational design of improved thiol-gold nanocontacts.
Fil: Zoloff Michoff, Martin Eduardo. Ruhr Universität Bochum; Alemania. 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: Ribas Arino, Jordi. Universidad de Barcelona; España. Ruhr Universität Bochum; Alemania
Fil: Marx, Dominik. Ruhr Universität Bochum; Alemania
description Thiolated gold nanointerfaces play a key role in numerous fields of science, technology, as well as modern medicine to coat, functionalize, and protect. Our computational study reveals that the mechanical vs thermal stabilities of aliphatic thiolates on gold surfaces are strikingly different from those of aromatic thiolates. The aliphatic thiolates feature, at the same time, a higher thermal desorption energy but a lower mechanical rupture force than thiophenolates. Our analysis discloses that this most counterintuitive property is due to different mechanochemical detachment mechanisms. Electronic structure analyses along the detachment pathways trace this back to the distinct electronic properties of the SAu bond in stretched nanojunctions. The discoveries that it is a higher thermal stability that entails a lower mechanical stability and that mechanical loads generate different local nanostructures depending on the nature of the thiolate are highly relevant for the rational design of improved thiol-gold nanocontacts.
publishDate 2019
dc.date.none.fl_str_mv 2019-02
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/11336/120838
Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik; Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces; American Physical Society; Physical Review Letters; 122; 8; 2-2019; 1-6
0031-9007
1079-7114
CONICET Digital
CONICET
url http://hdl.handle.net/11336/120838
identifier_str_mv Zoloff Michoff, Martin Eduardo; Ribas Arino, Jordi; Marx, Dominik; Selective nanomechanics of aromatic versus Aliphatic Thiolates on Gold Surfaces; American Physical Society; Physical Review Letters; 122; 8; 2-2019; 1-6
0031-9007
1079-7114
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://link.aps.org/doi/10.1103/PhysRevLett.122.086801
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.122.086801
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 American Physical Society
publisher.none.fl_str_mv American Physical Society
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
_version_ 1842269075076546560
score 13.13397

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