{
  "id": "1704.00365",
  "version": "v1",
  "published": "2017-04-02T21:14:34.000Z",
  "updated": "2017-04-02T21:14:34.000Z",
  "title": "Estimation of π-π Electronic Couplings from Current Measurements",
  "authors": [
    "J. Trasobaresa",
    "J. Rech",
    "T. Jonckheere",
    "T. Martin",
    "O. Aleveque",
    "E. Levillain",
    "V. Diez-Cabanes",
    "Y. Olivier",
    "J. Cornil",
    "J. P. Nys",
    "R. Sivakumarasamy",
    "K. Smaali",
    "P. Leclere",
    "A. Fujiwara",
    "D. Théron",
    "D. Vuillaume",
    "N. Clément"
  ],
  "comment": "Nano Lett (2017), full text and supporting information",
  "doi": "10.1021/acs.nanolett.7b00804",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "The {\\pi}-{\\pi} interactions between organic molecules are among the most important parameters for optimizing the transport and optical properties of organic transistors, light-emitting diodes, and (bio-) molecular devices. Despite substantial theoretical progress, direct experimental measurement of the {\\pi}-{\\pi} electronic coupling energy parameter t has remained an old challenge due to molecular structural variability and the large number of parameters that affect the charge transport. Here, we propose a study of {\\pi}-{\\pi} interactions from electrochemical and current measurements on a large array of ferrocene-thiolated gold nanocrystals. We confirm the theoretical prediction that t can be assessed from a statistical analysis of current histograms. The extracted value of t ca. 35 meV is in the expected range based on our density functional theory analysis. Furthermore, the t distribution is not necessarily Gaussian and could be used as an ultrasensitive technique to assess intermolecular distance fluctuation at the subangstr\\\"om level. The present work establishes a direct bridge between quantum chemistry, electrochemistry, organic electronics, and mesoscopic physics, all of which were used to discuss results and perspectives in a quantitative manner.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2017-04-02T21:14:34.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "current measurements",
      "estimation",
      "assess intermolecular distance fluctuation",
      "density functional theory analysis",
      "molecular structural variability"
    ],
    "tags": [
      "journal article"
    ],
    "publication": {
      "publisher": "ACS"
    },
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}