Charge and heat transport through molecules: The role of coherent excitations, molecular wire heat ratchets, shot noise for heat and charge, thermoelectric phenomena, electron-phonon interaction, vibrational modes, exciton-assisted transport

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The field of molecular electronics deals with the electron transport through electrodemolecule- electrode settings and its possible technological applications. Within this proposal, we will investigate transport properties of molecular wires focussing on the current noise, heating effects, and the influence of time-dependent fields and gate voltages. In particular, we plan to explore the influence of Coulomb interaction and a coupling to vibrational degrees of freedom. As a working model for the molecule, a tight-binding Hamiltonian is employed which includes a coupling to metallic leads, to vibrational degrees of freedom, and to external fields, as well. Thereby, we will contribute to both the theoretical understanding of experimental observations and the prediction of novel phenomena. Moreover, our calculations will serve for testing the approximations on which the far more complex ab-initio methods are based on.