Abstract

We have used a self-consistent quantum molecular dynamics approach to calculate the mobility of both positive and negative polaron-type carriers on isolated chains of poly(p-phenylene vinylene) (PPV) and some of its derivatives and the dependence of their mobility on the applied electric field. Our results suggest that polaron-type mobility along most of these polymer chains has a clear dependence on the electric field which is quite different from the result derived for bulk PPV-based materials.

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