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Title: | EPR Characterization of the Light-Induced Negative Polaron in a Functionalized Dithienylthiazolo[5,4-d]thiazole Acceptor for Organic Photovoltaics | Authors: | VAN LANDEGHEM, Melissa KUDRJASOVA, Julija MAES, Wouter Goovaerts, Etienne VAN DOORSLAER, Sabine |
Issue Date: | 2019 | Publisher: | SPRINGER WIEN | Source: | APPLIED MAGNETIC RESONANCE, 50 (11) , p. 1253 -1265 | Abstract: | 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 N-14 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. | Document URI: | http://hdl.handle.net/1942/30351 | ISSN: | 0937-9347 | e-ISSN: | 1613-7507 | DOI: | 10.1007/s00723-019-01146-4 | ISI #: | WOS:000491493500002 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2020 |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
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ApplMagRes_diCN_final.pdf | Peer-reviewed author version | 1.11 MB | Adobe PDF | View/Open |
VanLandeghem2019_Article_EPRCharacterizationOfTheLight-.pdf Restricted Access | Published version | 1.11 MB | Adobe PDF | View/Open Request a copy |
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