Non-adiabatic effects in electron tunneling in molecular junctions
Publikation: Bidrag til bog/antologi/rapport › Konferencebidrag i proceedings › Forskning › fagfællebedømt
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Non-adiabatic effects in electron tunneling in molecular junctions. / Mujica, Vladimiro; Hansen, Thorsten; Ratner, Mark A.
Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007). Bind 963 2. udg. 2007. s. 235-237.Publikation: Bidrag til bog/antologi/rapport › Konferencebidrag i proceedings › Forskning › fagfællebedømt
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TY - GEN
T1 - Non-adiabatic effects in electron tunneling in molecular junctions
AU - Mujica, Vladimiro
AU - Hansen, Thorsten
AU - Ratner, Mark A.
PY - 2007/12/1
Y1 - 2007/12/1
N2 - 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.
AB - 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.
KW - Electron transport
KW - Molecular junctions
KW - Non-adiabatic
UR - http://www.scopus.com/inward/record.url?scp=71449097569&partnerID=8YFLogxK
U2 - 10.1063/1.2836049
DO - 10.1063/1.2836049
M3 - Article in proceedings
AN - SCOPUS:71449097569
SN - 9780735404786
VL - 963
SP - 235
EP - 237
BT - Computation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
T2 - International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
Y2 - 25 September 2007 through 30 September 2007
ER -
ID: 209793787