The influence of charging effects on the transport characteristics of a molecular wire bridging two metallic electrodes in the limit of weak contacts is studied by the generalized Breit-Wigner formula. Molecule is modeled as a quantum dot with discrete energy levels, while the coupling to the electrodes is treated within a broad-band theory. Owing to this model we find self-consistent occupation of particular energy levels and orbital energies of the wire in the presence of transport. The nonlinear conductance and current-voltage characteristics are investigated as a function of bias voltage in the case of symmetric and asymmetric coupling to the electrodes. It is shown that the shape of those curves are determined by the combined effect of the electronic structure of the molecule and by electron-electron repulsion. © 2004 Elsevier B.V. All rights reserved.
Walczak, K. (2005). Charging effects in biased molecular devices. Physica E: Low-Dimensional Systems and Nanostructures, 25(4), 530–534. https://doi.org/10.1016/j.physe.2004.08.102