Adsorption of 2-thiophene curcuminoid molecules on a Au(111) surface
Author
dc.contributor.author
Flores Carrasco, Marcos
Author
dc.contributor.author
Cisternas, E.
Author
dc.contributor.author
Mella, A.
Author
dc.contributor.author
Jullian, D.
Author
dc.contributor.author
Núñez Vásquez, Álvaro
Author
dc.contributor.author
Soler Jauma, Mónica
Admission date
dc.date.accessioned
2018-07-25T17:34:30Z
Available date
dc.date.available
2018-07-25T17:34:30Z
Publication date
dc.date.issued
2018
Cita de ítem
dc.identifier.citation
Applied Surface Science, 427 (2018): 620–625
es_ES
Identifier
dc.identifier.other
10.1016/j.apsusc.2017.08.211
Identifier
dc.identifier.uri
https://repositorio.uchile.cl/handle/2250/150258
Abstract
dc.description.abstract
We provide a systematic ab initio study on the adsorption of 2-thiophene curcuminoid (2-thphCCM) molecules on a Au(111) surface. In this work we present the determination of the optimal configuration of a single molecule on the surface as well as a detailed study of the energetics of the different arrangements of two molecules considering their intermolecular interactions. We simulate the STM measurements associated with the optimal configuration and compare it with the experimental data.
es_ES
Patrocinador
dc.description.sponsorship
Proyecto Anillo
ACT 1117
Fondecyt
1140759
1150072
1110206
Financiamiento Basal para Centros Cientificos y Tecnologicos de Excelencia (Chile)
FB 0807
DIUFRO Project
DI17-0027
CILIS - Fondo de Innovacion para la Competitividad, del Ministerio de Economia, Fomento y Turismo, Chile
RC 130006