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http://hdl.handle.net/1942/27687
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DC Field | Value | Language |
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dc.contributor.author | PIROTTE, Geert | - |
dc.contributor.author | KESTERS, Jurgen | - |
dc.contributor.author | CARDEYNAELS, Tom | - |
dc.contributor.author | VERSTAPPEN, Pieter | - |
dc.contributor.author | D'HAEN, Jan | - |
dc.contributor.author | LUTSEN, Laurence | - |
dc.contributor.author | Champagne, Benoit | - |
dc.contributor.author | VANDERZANDE, Dirk | - |
dc.contributor.author | MAES, Wouter | - |
dc.date.accessioned | 2019-02-08T15:06:49Z | - |
dc.date.available | 2019-02-08T15:06:49Z | - |
dc.date.issued | 2018 | - |
dc.identifier.citation | MACROMOLECULAR RAPID COMMUNICATIONS, 39(14) (Art N° 1800086) | - |
dc.identifier.issn | 1022-1336 | - |
dc.identifier.uri | http://hdl.handle.net/1942/27687 | - |
dc.description.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%. | - |
dc.description.sponsorship | The calculations were performed on the computers of the Consortium des Equipements de Calcul Intensif (CECI, ), including those of the Technological Platform of High-Performance Computing, for which the authors gratefully acknowledge the financial support of the FNRS-FRFC (Conventions No. 2.4.617.07.F and 2.5020.11) and the University of Namur. The UHasselt co-authors thank Hasselt University and the Research Foundation - Flanders (FWO Vlaanderen) for the continuous financial support and postdoctoral fellowships for J.K. and P.V. | - |
dc.language.iso | en | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.subject.other | donor-acceptor polymers; homocoupling; polymer solar cells; Stille crosscoupling | - |
dc.subject.other | donor–acceptor polymers; homocoupling; polymer solar cells; Stille crosscoupling | - |
dc.title | The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQx(ff) Low Bandgap Polymers | - |
dc.type | Journal Contribution | - |
dc.identifier.issue | 14 | - |
dc.identifier.volume | 39 | - |
local.format.pages | 8 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.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. | - |
local.publisher.place | WEINHEIM | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
local.bibliographicCitation.artnr | 1800086 | - |
dc.identifier.doi | 10.1002/marc.201800086 | - |
dc.identifier.isi | 000439816900016 | - |
item.contributor | PIROTTE, Geert | - |
item.contributor | KESTERS, Jurgen | - |
item.contributor | CARDEYNAELS, Tom | - |
item.contributor | VERSTAPPEN, Pieter | - |
item.contributor | D'HAEN, Jan | - |
item.contributor | LUTSEN, Laurence | - |
item.contributor | Champagne, Benoit | - |
item.contributor | VANDERZANDE, Dirk | - |
item.contributor | MAES, Wouter | - |
item.validation | ecoom 2019 | - |
item.fullcitation | PIROTTE, Geert; KESTERS, Jurgen; CARDEYNAELS, Tom; VERSTAPPEN, Pieter; D'HAEN, Jan; LUTSEN, Laurence; Champagne, Benoit; VANDERZANDE, Dirk & MAES, Wouter (2018) The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQx(ff) Low Bandgap Polymers. In: MACROMOLECULAR RAPID COMMUNICATIONS, 39(14) (Art N° 1800086). | - |
item.accessRights | Open Access | - |
item.fulltext | With Fulltext | - |
crisitem.journal.issn | 1022-1336 | - |
crisitem.journal.eissn | 1521-3927 | - |
Appears in Collections: | Research publications |
Files in This Item:
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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