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Title
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EPR characterization of the light-induced negative polaron in a functionalized dithienylthiazolo[5,4-d]thiazole acceptor for organic photovoltaics
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Author
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Abstract
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| 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. |
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Language
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English
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Source (journal)
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Applied magnetic resonance. - Stuttgart, 1990, currens
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Publication
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Stuttgart
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2019
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ISSN
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0937-9347
[print]
1613-7507
[online]
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DOI
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10.1007/S00723-019-01146-4
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Volume/pages
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50
:11
(2019)
, p. 1253-1265
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ISI
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000491493500002
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Full text (Publisher's DOI)
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Full text (open access)
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Full text (publisher's version - intranet only)
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