EPR Characterization of the Light-Induced Negative Polaron in a Functionalized Dithienylthiazolo[5,4-d]thiazole Acceptor for Organic Photovoltaics
- Авторы: Van Landeghem M.1, Kudrjasova J.2,3, Maes W.2,3, Goovaerts E.1, Van Doorslaer S.4
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Учреждения:
- Experimental Condensed Matter Physics, University of Antwerp
- Design and Synthesis of Organic Semiconductors (DSOS), Institute for Materials Research (IMO-IMOMEC), Hasselt University
- Imec, Associated Laboratory IMOMEC
- Laboratory of Biophysics and Biomedical Physics, University of Antwerp
- Выпуск: Том 50, № 11 (2019)
- Страницы: 1253-1265
- Раздел: Original Paper
- URL: https://journals.rcsi.science/0937-9347/article/view/248681
- DOI: https://doi.org/10.1007/s00723-019-01146-4
- ID: 248681
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Аннотация
Functionalized 2,5-dithienylthiazolo[5,4-d]thiazole (DTTzTz) derivatives have attracted interest towards application as non-fullerene acceptors in solution-processed organic solar cells. Here, we present a combined high-field electron paramagnetic resonance and density functional theory study of the light-induced negative polaron on the novel acceptor 2,4-diCN-Ph-DTTzTz formed after charge transfer in bulk heterojunction blends with a donor polymer. Despite spectral overlap with the polymer cation, the g-anisotropy of the acceptor radical could be directly confirmed through detection of its unique 14N hyperfine couplings using electron–electron double resonance (ELDOR)-detected nuclear magnetic resonance (EDNMR) for spectral filtering. The spectral assignment is further underpinned by quantum-chemical calculations, which also provide detailed information about the spin density and charge distribution of the polaron in the DTTzTz acceptor.
Об авторах
Melissa Van Landeghem
Experimental Condensed Matter Physics, University of Antwerp
Email: sabine.vandoorslaer@uantwerpen.be
Бельгия, Universiteitsplein 1, Antwerp, 2610
Julija Kudrjasova
Design and Synthesis of Organic Semiconductors (DSOS), Institute for Materials Research (IMO-IMOMEC), Hasselt University; Imec, Associated Laboratory IMOMEC
Email: sabine.vandoorslaer@uantwerpen.be
Бельгия, Agoralaan 1, Diepenbeek, 3590; Wetenschapspark 1, Diepenbeek, 3590
Wouter Maes
Design and Synthesis of Organic Semiconductors (DSOS), Institute for Materials Research (IMO-IMOMEC), Hasselt University; Imec, Associated Laboratory IMOMEC
Email: sabine.vandoorslaer@uantwerpen.be
Бельгия, Agoralaan 1, Diepenbeek, 3590; Wetenschapspark 1, Diepenbeek, 3590
Etienne Goovaerts
Experimental Condensed Matter Physics, University of Antwerp
Email: sabine.vandoorslaer@uantwerpen.be
Бельгия, Universiteitsplein 1, Antwerp, 2610
Sabine Van Doorslaer
Laboratory of Biophysics and Biomedical Physics, University of Antwerp
Автор, ответственный за переписку.
Email: sabine.vandoorslaer@uantwerpen.be
ORCID iD: 0000-0002-1685-9202
Бельгия, Universiteitsplein 1, Antwerp, 2610