Polarons, bipolarons, and their effect on optical spectra in doped polyselenophene

Abstract

We present in this paper the results of an energetic study of the excitation spectrum in doped polyselenophene. The calculations show that polarons and bipolarons are the lowest-lying energy charged states, the creation of bipolarons taking place more readily than that of two polarons, as in similar heterocyclic polymers. We compare the theoretical results with experimental data, such as the evolution of optical and magnetic properties upon doping. The presence of polarons and bipolarons is shown to be consistent with the main features of the spectra.