Photoinduced charge transfer in conducting polymer C60 composites

Abstract

We propose a simple model for photoinduced charge transfer in conducting polymer C60 composites. Our model consists of coupled Su–Schrieffer–Heeger models for a single polymer chain and a C60 molecule. We have included the coupling of the molecular vibrations to the π electrons but have neglected explicit electron–electron interaction. Using adiabatic and nonadiabatic molecular dynamics, we find photoinduced electron transfer takes place in 200–300 fs. This is consistent with an experimental upper bound of 300 fs. Nonadiabatic effects tend to average out pronounced oscillatory behavior in the adiabatic calculations.