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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 | Source: | 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. | Keywords: | IWT (Institute for the Promotion of Innovation by Science and Technology in Flanders)(grant number SBO-project 060843 'Polyspec'); University of Antwerp for PhD funding (BOF-GOA project); European Union (grant number 262533 (SOPHIA)) | Document URI: | http://hdl.handle.net/1942/17040 | ISSN: | 1463-9076 | e-ISSN: | 1463-9084 | DOI: | 10.1039/c3cp54635g | ISI #: | 000335924800030 | Rights: | This journal is © the Owner Societies 2014. | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2015 |
Appears in Collections: | Research publications |
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