Insight into external electric field dependent photoinduced intermolecular charge transport in BHJ solar cell materials

External electric field dependent photoinduced intermolecular charge transfer in BHJ solar cell materials was theoretically investigated, including the influence of the external electric field on the electronic coupling, the reorganization energy and free energy change of the electron transfer. The theoretical approach not only promotes a deeper understanding of the connection between the external electric field, chemical structure and optical and electronic properties of the donor...acceptor system, but also can be developed for the rational design of a novel conjugated system for organic solar cells.