Electrode-molecule interface effects on molecular conductance

P. Tarakeshwar, Juan Jose Palacios, Dae M. Kim

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The interaction of an organic molecule with different metal electrodes is investigated by ab initio calculations. The results show that the chemical nature of the electrode atomic species and interface geometry elicit significant geometrical changes in the molecule at distances as great as 1 nm from the interface together with substantial modification of the electronic properties. Also, the orientations of the metal electrode-molecule interface give rise to significant changes in the electron density profile of the molecule. Thus, metal electrodes possessing similar work functions give rise to different conductance characteristics when contacted to the same molecule.

Original languageEnglish (US)
Title of host publication2006 IEEE Nanotechnology Materials and Devices Conference, NMDC
Pages156-157
Number of pages2
DOIs
StatePublished - Dec 1 2006
Externally publishedYes
Event2006 IEEE Nanotechnology Materials and Devices Conference, NMDC - Gyeongju, Korea, Republic of
Duration: Oct 22 2006Oct 25 2006

Publication series

Name2006 IEEE Nanotechnology Materials and Devices Conference, NMDC
Volume1

Other

Other2006 IEEE Nanotechnology Materials and Devices Conference, NMDC
CountryKorea, Republic of
CityGyeongju
Period10/22/0610/25/06

Keywords

  • Electrode
  • I-V characteristics
  • Interface effects
  • Molecular conductance
  • Molecular devices

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Materials Science(all)

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  • Cite this

    Tarakeshwar, P., Palacios, J. J., & Kim, D. M. (2006). Electrode-molecule interface effects on molecular conductance. In 2006 IEEE Nanotechnology Materials and Devices Conference, NMDC (pp. 156-157). [4388726] (2006 IEEE Nanotechnology Materials and Devices Conference, NMDC; Vol. 1). https://doi.org/10.1109/NMDC.2006.4388726