Analytical Model for Molecular-Scale Charge Transport

We demonstrate a simple analytical model for elastic charge transport on the nanometer scale within a single molecule. It is based on the assumptions usually employed for quantum chemical calculations, except that of equilibrium between the currents flowing in opposite directions. It allows the poss...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2001-05, Vol.105 (19), p.4702-4707
Main Authors: Peterson, Ian R, Vuillaume, Dominique, Metzger, Robert M
Format: Article
Language:English
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Summary:We demonstrate a simple analytical model for elastic charge transport on the nanometer scale within a single molecule. It is based on the assumptions usually employed for quantum chemical calculations, except that of equilibrium between the currents flowing in opposite directions. It allows the possibility of a nonuniform potential distribution and imbalance between the population of states of opposite momentum. We analyze two implementable configurations and find the predictions to be consistent with recent experimental results.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp0024571