Electroluminescence enhancement in polymer light-emitting diodes through inelastic scattering of oppositely charged bipolarons.

Combining the one-dimensional tight-binding Su-Schrieffer-Heeger (SSH) model and the extended Hubbard model (EHM), the scattering and combination of oppositely charged bipolarons in conjugated polymers are investigated using a nonadiabatic evolution method. On the basis of this physical picture, bipolarons can scatter into a singlet biexcitonic state, in which two electrons and two holes are trapped together by a lattice distortion. This biexcitonic state can emit one photon to an exciton state, which can subsequently decay to the ground state. The results indicate that the scattering and combination of oppositely charged bipolarons may provide guidance for improving the internal quantum efficiency for electroluminescence to as high as 75% in polymer light-emitting diodes.