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Critical temperature and products of intrachain polaron recombination in conjugated polymers
University of Brasilia, Brazil .
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
University of Brasilia, Brazil .
University of Brasilia, Brazil .
2014 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 16, no 32, 17072-17080 p.Article in journal (Refereed) Published
Abstract [en]

The intrachain recombination dynamics between oppositely charged polarons is theoretically investigated through the use of a version of the Su-Schrieffer-Heeger (SSH) model modified to include an external electric field, an extended Hubbard model, Coulomb interactions, and temperature effects in the framework of a nonadiabatic evolution method. Our results indicate notable characteristics concerning the polaron recombination: (1) it is found that there exists a critical temperature regime, below which an exciton is formed directly and (2) a pristine lattice is the resulting product of the recombination process, if the temperature is higher than the critical value. Additionally, it is found that the critical electric field regime plays the role of drastically modifying the system dynamics. These facts suggest that thermal effects in the intrachain recombination of polarons are crucial for the understanding of electroluminescence in optoelectronic devices, such as Polymer Light Emitting Diodes.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2014. Vol. 16, no 32, 17072-17080 p.
National Category
Physical Sciences Chemical Sciences
URN: urn:nbn:se:liu:diva-110271DOI: 10.1039/c4cp02184cISI: 000340353000022PubMedID: 25005593OAI: diva2:744054

Funding Agencies|Swedish Research Council; Brazilian Research Council CNPq; CAPES; FINATEC

Available from: 2014-09-05 Created: 2014-09-05 Last updated: 2014-10-07Bibliographically approved

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Ribeiro, Luiz Antonio
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