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Dynamic Formation of Bipolaron-Exciton Complexes in Conducting Polymers
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Univ Brasilia, Brazil.ORCID iD: 0000-0001-7468-2946
Univ Brasilia, Brazil.
Univ Brasilia, Brazil.
Univ Brasilia, Brazil.
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2018 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 122, no 15, p. 3866-3872Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2018. Vol. 122, no 15, p. 3866-3872
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URN: urn:nbn:se:liu:diva-147933DOI: 10.1021/acs.jpca.7b12185ISI: 000430783700018PubMedID: 29608859OAI: oai:DiVA.org:liu-147933DiVA, id: diva2:1209542
Note

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]

Available from: 2018-05-23 Created: 2018-05-23 Last updated: 2019-06-27

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