Molecular electronics by the numbers

S. T. Pantelides, M. Di Ventra, N. D. Lang, S. N. Rashkeev

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

Abstract

The paper gives an overview of recent work by the authors in first-principles, parameter-free calculations of electronic transport in molecules in the context of experimental measurements of current-voltage (I-V) characteristics of several molecules by Reed et al. The results show that the shape of I-V characteristics is determined by the electronic structure of the molecule in the presence of the external voltage whereas the absolute magnitude of the current is determined by the chemistry of individual atoms at the contacts. A three-terminal device has been simulated, showing gain. Finally, recent data that show large negative differential resistance and a peak that shifts substantially as a function of temperature have been accounted for in terms of rotations of ligands attached to the main molecule, a phenomenon that is not present in semiconductor nanostructures.

Original languageEnglish
Title of host publication2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002
EditorsM. Laudon, B. Romanowicz
Pages295-297
Number of pages3
Publication statusPublished - 1 Dec 2002
Event2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002 - San Juan, Puerto Rico
Duration: 21 Apr 200225 Apr 2002

Publication series

Name2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002

Other

Other2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002
CountryPuerto Rico
CitySan Juan
Period21/4/0225/4/02

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ASJC Scopus subject areas

  • Engineering(all)

Cite this

Pantelides, S. T., Di Ventra, M., Lang, N. D., & Rashkeev, S. N. (2002). Molecular electronics by the numbers. In M. Laudon, & B. Romanowicz (Eds.), 2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002 (pp. 295-297). (2002 International Conference on Computational Nanoscience and Nanotechnology - ICCN 2002).