Non-adiabatic effects in electron tunneling in molecular junctions

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

Abstract

Most models on electron transport in molecular junctions implicitly assume that there is only one potential energy surface (PES) involved in transport. The current and/or the voltage across the junction may invalidate this assumption in a number of important situations. We recently developed a model for the description of STM-induced unimolecular surface reactions as an electronic cotunneling process that takes explicitly into account the possibility of coupling of two PES via the interaction between the molecule and the electrode as described by the self-energy. In this contribution we extend our model in the framework of a theory of nonadiabatic tunneling developed by Zhu and Lin. Our results may be of importance in the context and current and voltage-induced processes in nano-junctions and also on a more fundamental level to broaden our understanding of the relationship between molecular conductance and electron transfer reactions.

Original languageEnglish
Title of host publicationComputation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
Pages235-237
Number of pages3
Edition2
DOIs
Publication statusPublished - Dec 1 2007
EventInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 - Corfu, Greece
Duration: Sep 25 2007Sep 30 2007

Publication series

NameAIP Conference Proceedings
Number2
Volume963
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

OtherInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
CountryGreece
CityCorfu
Period9/25/079/30/07

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Keywords

  • Electron transport
  • Molecular junctions
  • Non-adiabatic

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Mujica, V., Hansen, T., & Ratner, M. A. (2007). Non-adiabatic effects in electron tunneling in molecular junctions. In Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007) (2 ed., pp. 235-237). (AIP Conference Proceedings; Vol. 963, No. 2). https://doi.org/10.1063/1.2836049