Unoccupied Interface and Molecular States in Thiol and Dithiol Monolayers

Jonathan Correa-Puerta, Valeria Del Campo, Ricardo Henríquez, Vladimir A. Esaulov, Hicham Hamoudi, Marcos Flores, Patricio Häberle

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The electronic structure of self-assembled monolayers (SAMs) formed by thiols of different lengths and dithiol molecules bound to Au(111) has been characterized. Inverse photoemission spectroscopy (IPES) and density functional theory have been used to describe the molecule/Au substrate system. All molecular layers display a clear signal in the IPES data at the edge of the lowest unoccupied system orbital (LUSO), roughly 3 eV above the Fermi level. There is also evidence, in both the experimental data and the calculation, of a finite density of states just below the LUSO edge, which has been recognized as localized at the Au-substrate interface. Regardless of the molecular lengths and in addition to this induced density of interface states, an apparent antibonding Au-S state has been identified in the IPES data for both molecular systems. The main difference between the electronic structures of thiol and dithiol SAMs is a shift in the energy of the antibonding state.

Original languageEnglish
Pages (from-to)12056-12064
Number of pages9
JournalLangmuir
Volume33
Issue number43
DOIs
Publication statusPublished - 31 Oct 2017

Fingerprint

Photoelectron Spectroscopy
Photoelectron spectroscopy
Sulfhydryl Compounds
thiols
Monolayers
Self assembled monolayers
Electronic structure
photoelectric emission
Molecules
Interface states
Substrates
spectroscopy
electronic structure
Fermi level
orbitals
Density functional theory
molecules
density functional theory
dithiol
shift

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry

Cite this

Correa-Puerta, J., Del Campo, V., Henríquez, R., Esaulov, V. A., Hamoudi, H., Flores, M., & Häberle, P. (2017). Unoccupied Interface and Molecular States in Thiol and Dithiol Monolayers. Langmuir, 33(43), 12056-12064. https://doi.org/10.1021/acs.langmuir.7b02839

Unoccupied Interface and Molecular States in Thiol and Dithiol Monolayers. / Correa-Puerta, Jonathan; Del Campo, Valeria; Henríquez, Ricardo; Esaulov, Vladimir A.; Hamoudi, Hicham; Flores, Marcos; Häberle, Patricio.

In: Langmuir, Vol. 33, No. 43, 31.10.2017, p. 12056-12064.

Research output: Contribution to journalArticle

Correa-Puerta, J, Del Campo, V, Henríquez, R, Esaulov, VA, Hamoudi, H, Flores, M & Häberle, P 2017, 'Unoccupied Interface and Molecular States in Thiol and Dithiol Monolayers', Langmuir, vol. 33, no. 43, pp. 12056-12064. https://doi.org/10.1021/acs.langmuir.7b02839
Correa-Puerta J, Del Campo V, Henríquez R, Esaulov VA, Hamoudi H, Flores M et al. Unoccupied Interface and Molecular States in Thiol and Dithiol Monolayers. Langmuir. 2017 Oct 31;33(43):12056-12064. https://doi.org/10.1021/acs.langmuir.7b02839
Correa-Puerta, Jonathan ; Del Campo, Valeria ; Henríquez, Ricardo ; Esaulov, Vladimir A. ; Hamoudi, Hicham ; Flores, Marcos ; Häberle, Patricio. / Unoccupied Interface and Molecular States in Thiol and Dithiol Monolayers. In: Langmuir. 2017 ; Vol. 33, No. 43. pp. 12056-12064.
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