Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion

Aldo Ugolotti, Shashank S. Harivyasi, Anu Baby, Marcos Dominguez, Anna Lisa Pinardi, Maria Francisca López, José Ángel Martín-Gago, Guido Fratesi, Luca Floreano, Gian Paolo Brivio

Research output: Contribution to journalArticleResearchpeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)22797-22805
Number of pages9
JournalJournal of Physical Chemistry C
Volume121
Issue number41
DOIs
Publication statusPublished - 19 Oct 2017

Fingerprint

Chemisorption
chemisorption
X ray absorption near edge structure spectroscopy
Atoms
Chemical reactivity
Charge injection
Molecules
Chemical bonds
Scanning tunneling microscopy
Substrates
Photoelectron spectroscopy
chemical bonds
X ray spectroscopy
Platinum
spectroscopy
Density functional theory
atoms
scanning tunneling microscopy
molecules
platinum

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Ugolotti, A., Harivyasi, S. S., Baby, A., Dominguez, M., Pinardi, A. L., López, M. F., ... Brivio, G. P. (2017). Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion. Journal of Physical Chemistry C, 121(41), 22797-22805. https://doi.org/10.1021/acs.jpcc.7b06555

Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion. / Ugolotti, Aldo; Harivyasi, Shashank S.; Baby, Anu; Dominguez, Marcos; Pinardi, Anna Lisa; López, Maria Francisca; Martín-Gago, José Ángel; Fratesi, Guido; Floreano, Luca; Brivio, Gian Paolo.

In: Journal of Physical Chemistry C, Vol. 121, No. 41, 19.10.2017, p. 22797-22805.

Research output: Contribution to journalArticleResearchpeer-review

Ugolotti, A, Harivyasi, SS, Baby, A, Dominguez, M, Pinardi, AL, López, MF, Martín-Gago, JÁ, Fratesi, G, Floreano, L & Brivio, GP 2017, 'Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion' Journal of Physical Chemistry C, vol. 121, no. 41, pp. 22797-22805. https://doi.org/10.1021/acs.jpcc.7b06555
Ugolotti A, Harivyasi SS, Baby A, Dominguez M, Pinardi AL, López MF et al. Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion. Journal of Physical Chemistry C. 2017 Oct 19;121(41):22797-22805. https://doi.org/10.1021/acs.jpcc.7b06555
Ugolotti, Aldo ; Harivyasi, Shashank S. ; Baby, Anu ; Dominguez, Marcos ; Pinardi, Anna Lisa ; López, Maria Francisca ; Martín-Gago, José Ángel ; Fratesi, Guido ; Floreano, Luca ; Brivio, Gian Paolo. / Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion. In: Journal of Physical Chemistry C. 2017 ; Vol. 121, No. 41. pp. 22797-22805.
@article{489d9623d5174e8694fce24d1170b6b5,
title = "Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion",
abstract = "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.",
author = "Aldo Ugolotti and Harivyasi, {Shashank S.} and Anu Baby and Marcos Dominguez and Pinardi, {Anna Lisa} and L{\'o}pez, {Maria Francisca} and Mart{\'i}n-Gago, {Jos{\'e} {\'A}ngel} and Guido Fratesi and Luca Floreano and Brivio, {Gian Paolo}",
year = "2017",
month = "10",
day = "19",
doi = "10.1021/acs.jpcc.7b06555",
language = "English",
volume = "121",
pages = "22797--22805",
journal = "The journal of physical chemistry (Washington, DC) / C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "41",

}

TY - JOUR

T1 - Chemisorption of Pentacene on Pt(111) with a Little Molecular Distortion

AU - Ugolotti, Aldo

AU - Harivyasi, Shashank S.

AU - Baby, Anu

AU - Dominguez, Marcos

AU - Pinardi, Anna Lisa

AU - López, Maria Francisca

AU - Martín-Gago, José Ángel

AU - Fratesi, Guido

AU - Floreano, Luca

AU - Brivio, Gian Paolo

PY - 2017/10/19

Y1 - 2017/10/19

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85031895347&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.7b06555

DO - 10.1021/acs.jpcc.7b06555

M3 - Article

VL - 121

SP - 22797

EP - 22805

JO - The journal of physical chemistry (Washington, DC) / C

JF - The journal of physical chemistry (Washington, DC) / C

SN - 1932-7447

IS - 41

ER -