Photoinduced electron transfer in conjugated molecules containing different donor in an external electric field

Photoinduced electron transfers in different conjugated donor polymer containing with PC₆₀BM as the acceptor (X3:PC₆₀BM and X6:PC₆₀BM) were theoretically investigated. A detailed theoretical analysis of Marcus electron transfer rate in an external electric field was also performed. By discussing the effect of electric field on ΔG, λ, V_DA and charge separation rate, we have come to some conclusions. The results reveal that the free energy change and electronic coupling matrix are significantly influence by the vector properties of external electric field. Thus, the electron transfer process appears critically influenced by external electric fields. Our results will provide meaningful information on enhancing the photoelectric conversion efficiencies of BHJ solar cells.