---
res:
  bibo_abstract:
  - 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.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: M.
      foaf_name: Dell’Angela, M.
      foaf_surname: Dell’Angela
  - foaf_Person:
      foaf_givenName: G.
      foaf_name: Kladnik, G.
      foaf_surname: Kladnik
  - foaf_Person:
      foaf_givenName: A.
      foaf_name: Cossaro, A.
      foaf_surname: Cossaro
  - foaf_Person:
      foaf_givenName: A.
      foaf_name: Verdini, A.
      foaf_surname: Verdini
  - foaf_Person:
      foaf_givenName: M.
      foaf_name: Kamenetska, M.
      foaf_surname: Kamenetska
  - foaf_Person:
      foaf_givenName: I.
      foaf_name: Tamblyn, I.
      foaf_surname: Tamblyn
  - foaf_Person:
      foaf_givenName: S. Y.
      foaf_name: Quek, S. Y.
      foaf_surname: Quek
  - foaf_Person:
      foaf_givenName: J. B.
      foaf_name: Neaton, J. B.
      foaf_surname: Neaton
  - foaf_Person:
      foaf_givenName: D.
      foaf_name: Cvetko, D.
      foaf_surname: Cvetko
  - foaf_Person:
      foaf_givenName: A.
      foaf_name: Morgante, A.
      foaf_surname: Morgante
  - foaf_Person:
      foaf_givenName: Latha
      foaf_name: Venkataraman, Latha
      foaf_surname: Venkataraman
      foaf_workInfoHomepage: http://www.librecat.org/personId=9ebb78a5-cc0d-11ee-8322-fae086a32caf
    orcid: 0000-0002-6957-6089
  bibo_doi: 10.1021/nl100817h
  bibo_issue: '7'
  bibo_volume: 10
  dct_date: 2010^xs_gYear
  dct_isPartOf:
  - http://id.crossref.org/issn/1530-6984
  - http://id.crossref.org/issn/1530-6992
  dct_language: eng
  dct_publisher: American Chemical Society@
  dct_title: Relating energy level alignment and amine-linked single molecule junction
    conductance@
...