Abstract
Migration of excitons is of vital importance for the photovoltaic process in polymer-based donor/acceptor (D/A) photovoltaic system. Due to the existence of some trapping charges as well as the mismatch of energy levels at the D/A heterointerface, there will exist a nonuniform internal electric field, which may induce the migration or dissociation of an exciton or charge transfer state generated near the interface. In this work, by choosing the nonuniform internal electric field as a linear gradient form, we theoretically simulate the migration dynamics of an exciton in a polymer. It is found that the exciton will be polarized under the electric field. Especially, the polarized positive and negative charges in the exciton lie in different electric fields, which will induce a net force driving the exciton to migrate. Effects of some factors, such as the electron-phonon (e-ph) coupling, on the exciton migration are analyzed. This research reveals a new exciton migration mechanism in polymer-based D/A photovoltaic system, which might be timely for further understanding their photovoltaic process, and thus provide a new strategy to optimize the photovoltaic efficiency of the devices.
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