2024-03-28T12:19:10Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1679502020-05-27T09:27:31Zcom_10261_89com_10261_3col_10261_342
DIGITAL.CSIC
author
Ugolotti, Aldo
author
Harivyasi, Shashank S.
author
Baby, Anu
author
Domínguez, Marcos
author
Pinardi, Anna Lisa
author
López, María Francisca
author
Martín-Gago, José A.
author
Fratesi, Guido
author
Floreano, Luca
author
Brivio, Gian Paolo
funder
European Commission
funder
Ministerio de Economía y Competitividad (España)
funder
Istituto Nazionale di Fisica Nucleare
funder
Consiglio Nazionale delle Ricerche
2018-07-26T07:06:53Z
2018-07-26T07:06:53Z
2017-09-26
Journal of Physical Chemistry C 121(41): 22797-22805 (2017)
1932-7447
http://hdl.handle.net/10261/167950
10.1021/acs.jpcc.7b06555
1932-7455
http://dx.doi.org/10.13039/501100003329http://dx.doi.org/10.13039/501100000780http://dx.doi.org/10.13039/501100004462
We investigated the adsorption of pentacene on the (111) surface of platinum, which is an archetypal system for a junction with a low charge-injection barrier. We probed the structural and electronic configurations of pentacene by scanning tunnelling microscopy (STM), X-ray photoemission spectroscopy (XPS), and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy measurements. We simulated the interface by means of ab initio methods based on the density functional theory (DFT) framework, while including the dispersion forces. We found that the molecules adsorb at the bridge site of the close-compact atom rows with the long axis parallel to the substrate’s <110> directions, in a slightly distorted geometry, driven by the good match between the position of the carbon atoms of the molecule and the underlying lattice of the surface. Most importantly, a chemical bond is formed at the interface, which we attribute to the high chemical reactivity of the Pt substrate.
eng
openAccess
Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion
artículo
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URL
https://digital.csic.es/bitstream/10261/167950/3/Chemisorption_2017.pdf
File
MD5
f55cefe4a242bbc10a42a7cf52739910
2913232
application/pdf
Chemisorption_2017.pdf