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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/17040

Title: Electronic structure of positive and negative polarons in functionalized dithienylthiazolo-[5,4-d]thiazoles: a combined EPR and DFT study
Authors: Ling, Yun
VAN MIERLOO, Sarah
Schnegg, Alexander
Fehr, Matthias
ADRIAENSENS, Peter
LUTSEN, Laurence
VANDERZANDE, Dirk
MAES, Wouter
Goovaerts, Etienne
VAN DOORSLAER, Sabine
Issue Date: 2014
Citation: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (21), p. 10032-10040
Abstract: 2,5-Dithienylthiazolo[5,4-d]thiazole (DTTzTz) derivatives have high potential for solution-processed organic field-effect transistors and solar cells, both as electron acceptors and donors. Here, the electronic structure of positive and negative radicals (polarons) of two functionalized DTTzTz materials is studied using multi-frequency and multi-resonance electron paramagnetic resonance (EPR) in combination with density functional theory (DFT). It is shown that the negative and positive DTTzTz polarons can be distinguished on the basis of their characteristic EPR parameters. The chemically induced polarons are compared to light-generated states observed in a blend of one of the DTTzTz derivatives with a donor polymer. The study gives in-depth information about the spread of the electron or hole in the DTTzTz molecules.
URI: http://hdl.handle.net/1942/17040
DOI: 10.1039/c3cp54635g
ISI #: 000335924800030
ISSN: 1463-9076
Category: A1
Type: Journal Contribution
Validation: ecoom, 2015
Appears in Collections: Research publications

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