Spin-dependent electron-hole capture kinetics in conjugated polymers
Stoyan Karabunarliev, Eric. R. Bittner
Abstract
The recombination of electron-hole pairs injected in extended conjugated systems is modeled as a multi-pathway vibron-driven relaxation in monoexcited state-space. The computed triplet-to-singlet ratio of exciton formation times r = τT/τS increases from 0.9 for a model dimer to 2.5 for a 32-unit chain, in excellent agreement with experiments. Therewith we rationalize recombination efficiency in terms of spin-dependent interstate vibronic coupling and spin- and conjugation-length-dependent exciton binding energies.Our model calculations for various length polymers indicate that the ratio of the singlet to triplet formation ratios, r = σS/σT, is inversely related to the ratio of the singlet and triplet binding energies, εbS/εbT.
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