Electrode-molecule interface effects on molecular conductance

Tarakeshwar Pilarisetty, 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
Volume1
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

Other

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

Fingerprint

Electrodes
Molecules
Metals
Electronic properties
Carrier concentration
Geometry

Keywords

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

ASJC Scopus subject areas

  • Electrical and Electronic Engineering
  • Materials Science(all)

Cite this

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

Electrode-molecule interface effects on molecular conductance. / Pilarisetty, Tarakeshwar; Palacios, Juan Jose; Kim, Dae M.

2006 IEEE Nanotechnology Materials and Devices Conference, NMDC. Vol. 1 2006. p. 156-157 4388726.

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

Pilarisetty, T, Palacios, JJ & Kim, DM 2006, Electrode-molecule interface effects on molecular conductance. in 2006 IEEE Nanotechnology Materials and Devices Conference, NMDC. vol. 1, 4388726, pp. 156-157, 2006 IEEE Nanotechnology Materials and Devices Conference, NMDC, Gyeongju, Korea, Republic of, 10/22/06. https://doi.org/10.1109/NMDC.2006.4388726
Pilarisetty T, Palacios JJ, Kim DM. Electrode-molecule interface effects on molecular conductance. In 2006 IEEE Nanotechnology Materials and Devices Conference, NMDC. Vol. 1. 2006. p. 156-157. 4388726 https://doi.org/10.1109/NMDC.2006.4388726
Pilarisetty, Tarakeshwar ; Palacios, Juan Jose ; Kim, Dae M. / Electrode-molecule interface effects on molecular conductance. 2006 IEEE Nanotechnology Materials and Devices Conference, NMDC. Vol. 1 2006. pp. 156-157
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