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dc.contributor.author
Salvarezza, Roberto Carlos
dc.contributor.author
Carro, Pilar
dc.date.available
2018-11-06T19:32:21Z
dc.date.issued
2017-10
dc.identifier.citation
Salvarezza, Roberto Carlos; Carro, Pilar; The electrochemical stability of thiols on gold surfaces; Elsevier Science Sa; Journal of Electroanalytical Chemistry; 819; 10-2017; 234-239
dc.identifier.issn
1572-6657
dc.identifier.uri
http://hdl.handle.net/11336/63814
dc.description.abstract
In this paper we present a comparative analysis of the electrochemical stability of alkanethiols, aromatic and heterocyclic thiols on the Au(111) and Au(100) faces in relation to the theoretical energetic data. The peak potential and surface coverage are used as the key parameters to estimate the electrochemical stability while work function changes, adsorption energies and surface free energies calculated from periodic DFT, including van der Waals interactions, are used for the theoretical estimation. We find that the peak potentials do not correlate with work function changes and adsorption energies in particular for aromatic and heterocyclic thiols. In contrast, the reductive desorption potentials for the different thiols show a good correlation with the surface free energy of the SAMs estimated by density functional theory calculations. Surface coverage is a key factor that controls reductive desorption through van der Waals interactions.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science Sa
dc.rights
info:eu-repo/semantics/embargoedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
Thiols
dc.subject
Electrochemical Stability
dc.subject
Gold
dc.subject
Surface Free Energy
dc.subject.classification
Nano-materiales
dc.subject.classification
Nanotecnología
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
dc.title
The electrochemical stability of thiols on gold surfaces
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-10-22T22:32:11Z
dc.journal.volume
819
dc.journal.pagination
234-239
dc.journal.pais
Países Bajos
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Salvarezza, Roberto Carlos. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
dc.description.fil
Fil: Carro, Pilar. Universidad de La Laguna; España
dc.journal.title
Journal of Electroanalytical Chemistry
dc.rights.embargoDate
2019-01-01
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jelechem.2017.10.046
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1572665717307543
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