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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/17758

Title: Electronic Structure of the Positive Radical of C-13-Labeled Poly(3-Octylthienylene Vinylene) Polymer
Authors: Ling, Yun
DILIEN, Hanne
VANDERZANDE, Dirk
ADRIAENSENS, Peter
VAN DOORSLAER, Sabine
Issue Date: 2014
Publisher: SPRINGER WIEN
Citation: APPLIED MAGNETIC RESONANCE, 45 (9), p. 827-839
Abstract: Poly(3-octylthienylene vinylene) (O-PTV) has a great potential as low-bandgap p-type semiconductor for photovoltaic applications. Here, the positive radical state (positive polaron) is induced chemically in the O-PTV polymer in which the vinylene sites are selectively C-13-labeled. Using multi-frequency continuous wave and pulsed electron paramagnetic resonance, the g tensor and maximum H-1 and C-13 hyperfine couplings are determined. A comparative density functional theory (DFT) analysis of PTV-like oligomers is performed. The experimental parameters suggest a larger localization of the positive polaron than follows from the DFT analysis. The counter anion may play a crucial role in localizing the polaron.
Notes: [Ling, Yun; Van Doorslaer, Sabine] Univ Antwerp, BIMEF Lab, Dept Phys, B-2610 Antwerp, Belgium. [Dilien, Hanne; Vanderzande, Dirk; Adriaensens, Peter J.] Hasselt Univ, Inst Mat Res IMO IMOMEC, B-3590 Diepenbeek, Belgium. [Vanderzande, Dirk; Adriaensens, Peter J.] IMEC, IMOMEC Assoc Lab, B-3590 Diepenbeek, Belgium.
URI: http://hdl.handle.net/1942/17758
DOI: 10.1007/s00723-014-0561-3
ISI #: 000342413100004
ISSN: 0937-9347
Category: A1
Type: Journal Contribution
Validation: ecoom, 2015
Appears in Collections: Research publications

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