---
OA_place: repository
OA_type: green
_id: '18024'
abstract:
- lang: eng
  text: Using photoemission spectroscopy, we determine the relationship between electronic
    energy level alignment at a metal−molecule interface and single-molecule junction
    transport data. We measure the position of the highest occupied molecular orbital
    (HOMO) relative to the Au metal Fermi level for three 1,4-benzenediamine derivatives
    on Au(111) and Au(110) with ultraviolet and resonant X-ray photoemission spectroscopy.
    We compare these results to scanning tunnelling microscope-based break-junction
    measurements of single molecule conductance and to first-principles calculations.
    We find that the energy difference between the HOMO and Fermi level for the three
    molecules adsorbed on Au(111) correlate well with changes in conductance and agree
    well with quasiparticle energies computed from first-principles calculations incorporating
    self-energy corrections. On the Au(110) that presents Au atoms with lower-coordination,
    critical in break-junction conductance measurements, we see that the HOMO level
    shifts further from the Fermi level. These results provide the first direct comparison
    of spectroscopic energy level alignment measurements with single molecule junction
    transport data.
article_processing_charge: No
article_type: letter_note
arxiv: 1
author:
- first_name: M.
  full_name: Dell’Angela, M.
  last_name: Dell’Angela
- first_name: G.
  full_name: Kladnik, G.
  last_name: Kladnik
- first_name: A.
  full_name: Cossaro, A.
  last_name: Cossaro
- first_name: A.
  full_name: Verdini, A.
  last_name: Verdini
- first_name: M.
  full_name: Kamenetska, M.
  last_name: Kamenetska
- first_name: I.
  full_name: Tamblyn, I.
  last_name: Tamblyn
- first_name: S. Y.
  full_name: Quek, S. Y.
  last_name: Quek
- first_name: J. B.
  full_name: Neaton, J. B.
  last_name: Neaton
- first_name: D.
  full_name: Cvetko, D.
  last_name: Cvetko
- first_name: A.
  full_name: Morgante, A.
  last_name: Morgante
- first_name: Latha
  full_name: Venkataraman, Latha
  id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf
  last_name: Venkataraman
  orcid: 0000-0002-6957-6089
citation:
  ama: Dell’Angela M, Kladnik G, Cossaro A, et al. Relating energy level alignment
    and amine-linked single molecule junction conductance. <i>Nano Letters</i>. 2010;10(7):2470-2474.
    doi:<a href="https://doi.org/10.1021/nl100817h">10.1021/nl100817h</a>
  apa: Dell’Angela, M., Kladnik, G., Cossaro, A., Verdini, A., Kamenetska, M., Tamblyn,
    I., … Venkataraman, L. (2010). Relating energy level alignment and amine-linked
    single molecule junction conductance. <i>Nano Letters</i>. American Chemical Society.
    <a href="https://doi.org/10.1021/nl100817h">https://doi.org/10.1021/nl100817h</a>
  chicago: Dell’Angela, M., G. Kladnik, A. Cossaro, A. Verdini, M. Kamenetska, I.
    Tamblyn, S. Y. Quek, et al. “Relating Energy Level Alignment and Amine-Linked
    Single Molecule Junction Conductance.” <i>Nano Letters</i>. American Chemical
    Society, 2010. <a href="https://doi.org/10.1021/nl100817h">https://doi.org/10.1021/nl100817h</a>.
  ieee: M. Dell’Angela <i>et al.</i>, “Relating energy level alignment and amine-linked
    single molecule junction conductance,” <i>Nano Letters</i>, vol. 10, no. 7. American
    Chemical Society, pp. 2470–2474, 2010.
  ista: Dell’Angela M, Kladnik G, Cossaro A, Verdini A, Kamenetska M, Tamblyn I, Quek
    SY, Neaton JB, Cvetko D, Morgante A, Venkataraman L. 2010. Relating energy level
    alignment and amine-linked single molecule junction conductance. Nano Letters.
    10(7), 2470–2474.
  mla: Dell’Angela, M., et al. “Relating Energy Level Alignment and Amine-Linked Single
    Molecule Junction Conductance.” <i>Nano Letters</i>, vol. 10, no. 7, American
    Chemical Society, 2010, pp. 2470–74, doi:<a href="https://doi.org/10.1021/nl100817h">10.1021/nl100817h</a>.
  short: M. Dell’Angela, G. Kladnik, A. Cossaro, A. Verdini, M. Kamenetska, I. Tamblyn,
    S.Y. Quek, J.B. Neaton, D. Cvetko, A. Morgante, L. Venkataraman, Nano Letters
    10 (2010) 2470–2474.
date_created: 2024-09-09T13:00:09Z
date_published: 2010-06-25T00:00:00Z
date_updated: 2025-01-03T10:03:22Z
day: '25'
doi: 10.1021/nl100817h
extern: '1'
external_id:
  arxiv:
  - '1006.4187'
fulldoi: https://doi.org/10.1021/nl100817h
intvolume: '        10'
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/1006.4187
month: '06'
oa: 1
oa_version: Preprint
page: 2470-2474
publication: Nano Letters
publication_identifier:
  eissn:
  - 1530-6992
  issn:
  - 1530-6984
publication_status: published
publisher: American Chemical Society
quality_controlled: '1'
scopus_import: '1'
status: public
title: Relating energy level alignment and amine-linked single molecule junction conductance
type: journal_article
user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87
volume: 10
year: '2010'
...