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Evaluation of the Electronic Structure of Single-Molecule Junctions Based on Current-Voltage and Thermopower Measurements: Application to C60 Single-Molecule Junction.

Authors
  • Komoto, Yuki1
  • Isshiki, Yuji1
  • Fujii, Shintaro1
  • Nishino, Tomoaki1
  • Kiguchi, Manabu1
  • 1 Department of Chemistry, Graduate School of Science, Tokyo Institute of Technology, 2-12-1 W4-10 Ookayama, Meguro-ku, Tokyo, 152-8551, Japan. , (Japan)
Type
Published Article
Journal
Chemistry - An Asian Journal
Publisher
Wiley (John Wiley & Sons)
Publication Date
Feb 16, 2017
Volume
12
Issue
4
Pages
440–445
Identifiers
DOI: 10.1002/asia.201601392
PMID: 28035743
Source
Medline
Keywords
License
Unknown

Abstract

The electronic structure of molecular junctions has a significant impact on their transport properties. Despite the decisive role of the electronic structure, a complete characterization of the electronic structure remains a challenge. This is because there is no straightforward way of measuring electron spectroscopy for an individual molecule trapped in a nanoscale gap between two metal electrodes. Herein, a comprehensive approach to obtain a detailed description of the electronic structure in single-molecule junctions based on the analysis of current-voltage (I-V) and thermoelectric characteristics is described. It is shown that the electronic structure of the prototypical C60 single-molecule junction can be resolved by analyzing complementary results of the I-V and thermoelectric measurement. This combined approach confirmed that the C60 single-molecule junction was highly conductive with molecular electronic conductances of 0.033 and 0.003 G0 and a molecular Seebeck coefficient of -12 μV K-1 . In addition, we revealed that charge transport was mediated by a LUMO whose energy level was located 0.5≈0.6 eV above the Fermi level of the Au electrode.

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