Molecular Crystals and Liquid Crystals, Vol.521, 72-83, 2010
Feature of Polaronic Charge Carriers in Polysilanes: Experimental and Theoretical Approach
Formation and transport of polarons in poly[methyl(phenyl) silylene]is discussed. Analytical theory based on the effective medium approach is used to explain the electric field dependence of charge carrier mobility. The obtained value of the polaron binding energy is about 0.29 eV. This result is in agreement with quantum chemical calculations based on the B3LYP method. Charge carrier transport can be described by a small polaron movement in the presence of an energetic disorder. Polaron binding energy represents significant part of the activation energy of the charge mobility.
Keywords:Binding energy;charge mobility;hopping transport;polaron;poly[methyl(phenyl)silylene];polysilane