Forskning ved Københavns Universitet - Københavns Universitet


Non-adiabatic effects in electron tunneling in molecular junctions

Publikation: Bidrag til bog/antologi/rapportKonferencebidrag i proceedingsForskningfagfællebedømt

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.

TitelComputation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
Antal sider3
Publikationsdato1 dec. 2007
ISBN (Trykt)9780735404786
StatusUdgivet - 1 dec. 2007
BegivenhedInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 - Corfu, Grækenland
Varighed: 25 sep. 200730 sep. 2007


KonferenceInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
SponsorEur. Soc. Comput. Methods Sci. Eng. ESCMSE, Ministry of National Education and Religious Affairs, E4 Computer Engineering

ID: 209793787