Solvation-induced one-dimensional polarons and electron transfer

TL;DR

This paper investigates how a polar solvent induces self-localized polarons in 1D semiconductors, affecting electron transfer processes, with applications to nanotube systems.

Contribution

It introduces a theoretical framework for understanding solvation-induced polarons and their role in thermally activated electron transfer in 1D nanostructures.

Findings

Identification of solvation-induced localized electronic states in 1D semiconductors.

Application of Marcus theory to polaron-mediated electron transfer.

Illustrative calculations for nanotube geometries.

Abstract

When a one-dimensional (1D) semiconductor nanostructure is immersed in a sluggish polar solvent, fluctuations of the medium may result in the appearance of localized electronic levels inside the band gap. An excess charge carrier can occupy such a level and undergo self-localization into a large-radius adiabatic polaron surrounded by a self-consistent medium polarization pattern. Within an appropriately adapted framework of the Marcus theory, we explore the description and qualitative picture of thermally activated electron transfer involving solvation-induced polaronic-like states by considering transfer between small and 1D species as well as between two 1D species. Illustrative calculations are performed for tubular geometries with possible applications to carbon nanotube systems.