{
  "id": "1208.5901",
  "version": "v1",
  "published": "2012-08-29T12:56:14.000Z",
  "updated": "2012-08-29T12:56:14.000Z",
  "title": "Molecule-Electrode Interface Energetics in Molecular Junction: a Transition Voltage Spectroscopy Study",
  "authors": [
    "Guillaume Ricœur",
    "Stéphane Lenfant",
    "David Guérin",
    "Dominique Vuillaume"
  ],
  "comment": "Accepted for publication in J. Phys. Chem C. One pdf file including manuscript, figures and supporting information",
  "journal": "J. Phys. Chem. C 116(39), 20722-20730 (2012)",
  "doi": "10.1021/jp305739c",
  "categories": [
    "cond-mat.mes-hall",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "We assess the performances of the transition voltage spectroscopy (TVS) method to determine the energies of the molecular orbitals involved in the electronic transport though molecular junctions. A large number of various molecular junctions made with alkyl chains but with different chemical structure of the electrode-molecule interfaces are studied. In the case of molecular junctions with clean, unoxidized electrode-molecule interfaces, i.e. alkylthiols and alkenes directly grafted on Au and hydrogenated Si, respectively, we measure transition voltages in the range 0.9 - 1.4 V. We conclude that the TVS method allows estimating the onset of the tail of the LUMO density of states, at energy located 1.0 - 1.2 eV above the electrode Fermi energy. For oxidized interfaces (e.g. the same monolayer measured with Hg or eGaIn drops, or monolayers formed on a slightly oxidized silicon substrate), lower transition voltages (0.1 - 0.6 V) are systematically measured. These values are explained by the presence of oxide-related density of states at energies lower than the HOMO-LUMO of the molecules. As such, the TVS method is a useful technique to assess the quality of the molecule-electrode interfaces in molecular junctions.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2012-08-29T12:56:14.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "molecular junction",
      "transition voltage spectroscopy study",
      "molecule-electrode interface energetics",
      "electrode-molecule interfaces",
      "tvs method"
    ],
    "tags": [
      "journal article"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2012arXiv1208.5901R"
    }
  }
}