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MO: Fachverband Molekülphysik
MO 17: Theory
MO 17.3: Vortrag
Donnerstag, 12. März 2020, 14:30–14:45, f142
Charge Transfer Through Redox Molecular Junctions in Non-Equilibrated Solvents — •Henning Kirchberg1, Michael Thorwart1, and Abraham Nitzan2 — 1I. Institut für Theoretische Physik, Universität Hamburg, Jungiusstraße 9, 20355 Hamburg, Deutschland — 2Department of Chemistry, University of Pennsylvania, 231 s 34th St. Philadelphia, PA 19104, USA
Charge transport in solvated molecular junctions is commonly described by sequential electron hopping between molecular sites as well as between the molecule and the metal leads. Each such hopping event is accompanied by complete solvent relaxation and the process is thus described by Marcus electron transfer theory, which accounts for thermally activated processes under equilibrium conditions. When the time scale of the solvent relaxation is finite, the thermal distribution determining the charge transfer rates needs to be replaced by a time-dependent probability distribution. We determine this distribution by suitable diffusion equations in the high- and low-friction limits and calculate the nonequilibrium charge current and the Fano factor as a function of the solvent damping strength. The charge hopping becomes correlated by a finite solvent relaxation. Moreover, we find a Kramers-like turnover of the nonequilibrium current as a function of the solvent induced damping.