---
res:
  bibo_abstract:
  - We measure conductance and thermopower of single Au–4,4′-bipyridine–Au junctions
    in distinct low and high conductance binding geometries accessed by modulating
    the electrode separation. We use these data to determine the electronic energy
    level alignment and coupling strength for these junctions, which are known to
    conduct through the lowest unoccupied molecular orbital (LUMO). Contrary to intuition,
    we find that, in the high-conductance junction, the LUMO resonance energy is further
    away from the Au Fermi energy than in the low-conductance junction. However, the
    LUMO of the high-conducting junction is better coupled to the electrode. These
    results are in good quantitative agreement with self-energy corrected zero-bias
    density functional theory calculations. Our calculations show further that measurements
    of conductance and thermopower in amine-terminated oligophenyl–Au junctions, where
    conduction occurs through the highest occupied molecular orbitals, cannot be used
    to extract electronic parameters as their transmission functions do not follow
    a simple Lorentzian form.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Taekyeong
      foaf_name: Kim, Taekyeong
      foaf_surname: Kim
  - foaf_Person:
      foaf_givenName: Pierre
      foaf_name: Darancet, Pierre
      foaf_surname: Darancet
  - foaf_Person:
      foaf_givenName: Jonathan R.
      foaf_name: Widawsky, Jonathan R.
      foaf_surname: Widawsky
  - foaf_Person:
      foaf_givenName: Michele
      foaf_name: Kotiuga, Michele
      foaf_surname: Kotiuga
  - foaf_Person:
      foaf_givenName: Su Ying
      foaf_name: Quek, Su Ying
      foaf_surname: Quek
  - foaf_Person:
      foaf_givenName: Jeffrey B.
      foaf_name: Neaton, Jeffrey B.
      foaf_surname: Neaton
  - 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/nl404143v
  bibo_issue: '2'
  bibo_volume: 14
  dct_date: 2014^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: Determination of energy level alignment and coupling strength in 4,4′-bipyridine
    single-molecule junctions@
  fabio_hasPubmedId: '24446585'
...