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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/27687

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
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.
URI: http://hdl.handle.net/1942/27687
DOI: 10.1002/marc.201800086
ISI #: 000439816900016
ISSN: 1022-1336
Category: A1
Type: Journal Contribution
Appears in Collections: Research publications

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