Abstract
Based on the nonequilibrium density matrix method, a unified approach to describe tunnel and sequential components of the current mediated by a molecule embedded in between the electrodes is proposed. It is shown that inelastic hopping processes not only form a sequential current component but simultaneously lead to molecular recharge. As the efficiency of a tunnel transmission depends strongly on a charge state of the molecule, the inelastic transfer processes can modify the elastic tunnel transmission via the alternation of the number of extra electrons at the molecule. Detailed analysis of the current–voltage characteristics has been carried out for a molecule with a single reaction level. The analytic expressions have been derived for both sequential (inelastic) and tunnel (elastic) current components, and the role of molecular recharge in the formation of specific transmission channels has been clarified.
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