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Title: | The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQx(ff) Low Bandgap Polymers | Authors: | PIROTTE, Geert KESTERS, Jurgen CARDEYNAELS, Tom VERSTAPPEN, Pieter D'HAEN, Jan LUTSEN, Laurence Champagne, Benoit VANDERZANDE, Dirk MAES, Wouter |
Issue Date: | 2018 | Publisher: | WILEY-V C H VERLAG GMBH | Source: | MACROMOLECULAR RAPID COMMUNICATIONS, 39(14) (Art N° 1800086) | Abstract: | Push-pull-type conjugated polymers applied in organic electronics do not always contain a perfect alternation of donor and acceptor building blocks. Misscouplings can occur, which have a noticeable effect on the device performance. In this work, the influence of homocoupling on the optoelectronic properties and photovoltaic performance of PDTSQx(ff) polymers is investigated, with a specific focus on the quinoxaline acceptor moieties. A homocoupled biquinoxaline segment is intentionally inserted in specific ratios during the polymerization. These homocoupled units cause a gradually blue-shifted absorption, while the highest occupied molecular orbital energy levels decrease only significantly upon the presence of 75-100% of homocouplings. Density functional theory calculations show that the homocoupled acceptor unit generates a twist in the polymer backbone, which leads to a decreased conjugation length and a reduced aggregation tendency. The virtually defect-free PDTSQx(ff) affords a solar cell efficiency of 5.4%, which only decreases substantially upon incorporating a homocoupling degree over 50%. | Notes: | [Pirotte, Geert; Kesters, Jurgen; Cardeynaels, Tom; Verstappen, Pieter; D'Haen, Jan; Vanderzande, Dirk; Maes, Wouter] UHasselt Hasselt Univ, Inst Mat Res IMO IMOMEC, DSOS, Elect & Phys Characterizat ELPHYC, Agoralaan Bldg D, B-3590 Diepenbeek, Belgium. [Cardeynaels, Tom; Champagne, Benoit] Univ Namur, Namur Inst Struct Matter, Theoret & Struct Phys Chem Unit, Lab Theoret Chem, Rue Bruxelles 61, B-5000 Namur, Belgium. [D'Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk; Maes, Wouter] IMEC IMOMEC, Univ Campus,Wetenschapspk 1, B-3590 Diepenbeek, Belgium. | Keywords: | donor–acceptor polymers; homocoupling; polymer solar cells; Stille crosscoupling;donor-acceptor polymers; homocoupling; polymer solar cells; Stille crosscoupling | Document URI: | http://hdl.handle.net/1942/27687 | ISSN: | 1022-1336 | e-ISSN: | 1521-3927 | DOI: | 10.1002/marc.201800086 | ISI #: | 000439816900016 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2019 |
Appears in Collections: | Research publications |
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File | Description | Size | Format | |
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pirotte2018.pdf Restricted Access | Published version | 1.23 MB | Adobe PDF | View/Open Request a copy |
Revised paper homocoupling PDTSQxff Pirotte et al.pdf | Peer-reviewed author version | 663.9 kB | Adobe PDF | View/Open |
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