The recombination dynamics of two oppositely charged bipolarons within a single polymer chain is numerically studied in the scope of a one-dimensional tight-binding model that considers electron electron and electron-phonon (e-ph) interactions. By scanning among values of e-ph coupling and electric field, novel channels for the bipolaron recombination were yielded based on the interplay between these two parameters. The findings point to the formation of a compound species formed from the coupling between a bipolaron and an exciton. Depending on the electric field and e-ph coupling strengths, the recombination mechanism may yield two distinct products: a trapped (and almost neutral) or a moving (and partially charged) bipolaron-exciton. These results might enlighten the understanding of the electroluminescence processes in organic light-emitting devices.
Funding Agencies|Brazilian Research Council CNPq; Brazilian Research Council CAPES; Brazilian Research Council FAP-DF; Brazilian Research Council FINATEC; CENAPAD-SP; FAP-DF [193.001.234/2016, 193.001.556/2017, 0193.000.942/2015]; Brazilian Ministry of Planning, Budget and Management [DIPLA 005/2016]