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Nonadiabatic dynamics of injected holes in conjugated polymers
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. University of Brasilia, Brazil.
University of Brasilia, Brazil.
2017 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 19, no 15, 10000-10008 p.Article in journal (Refereed) Published
Abstract [en]

The dynamics of injected holes in short transient times that precede polaron formation is numerically studied in the framework of a tight-binding electron-phonon interacting approach aimed at describing organic one-dimensional lattices. In particular, the direct impact of internal and external factors on the conversion of injected holes into polarons is carefully investigated. The results show that a hole injected at levels lower than the highest occupied molecular orbital forms self-trapped bound structures that can merge spontaneously to form a polaron after, at least, one picosecond. On the other hand, the life-time of such structures substantially decreases (up to a few hundreds of femtoseconds) when the influence of external electric fields, temperature effects and impurities is considered. Importantly, the critical values of the aforementioned factors in promoting the quenching of the self-trapped structures are obtained. These findings may enlighten the understanding of the mechanism of charge carrier generation in Polymer Light Emitting Diodes when several kinds of excitations are present.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY , 2017. Vol. 19, no 15, 10000-10008 p.
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:liu:diva-137388DOI: 10.1039/c7cp00729aISI: 000399383100032PubMedID: 28362447OAI: oai:DiVA.org:liu-137388DiVA: diva2:1096690
Note

Funding Agencies|CNPq; CAPES; FINATEC; Brazilian Research Council FAPDF [0193.000942/2015]; Brazilian Ministry of Planning, Budget and Management [DIPLA 005/2016]

Available from: 2017-05-18 Created: 2017-05-18 Last updated: 2017-05-18

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Ribeiro, Luiz Antonio
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CiteExportLink to record
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