Hannover 2020 – scientific programme

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MO: Fachverband Molekülphysik

MO 17: Theory

MO 17.3: Talk

Thursday, March 12, 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.