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Dynamic Formation of Bipolaron-Exciton Complexes in Conducting Polymers.

Luiz Antonio Ribeiro JuniorFábio Ferreira MonteiroBernhard Georg EndersAntonio Luciano de Almeida FonsecaGeraldo Magela E SilvaWiliam Ferreira da Cunha
Published in: The journal of physical chemistry. A (2018)
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.
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