The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQxff Low Bandgap Polymers

G. Pirotte, Jurgen Kesters, Tom Cardeynaels, Pieter Verstappen, Laurence Lutsen, Benoît Champagne, Dirk Vanderzande, Wouter Maes

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

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 PDTSQxff 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 PDTSQxff affords a solar cell efficiency of 5.4%, which only decreases substantially upon incorporating a homocoupling degree over 50%.
langue originaleAnglais
Numéro d'article1800086
journalMacromol Rapid Communications
Volume39
Numéro de publication14
Les DOIs
étatPublié - 1 juil. 2018

Empreinte digitale

Optoelectronic devices
Polymers
Energy gap
Quinoxalines
Conjugated polymers
Molecular orbitals
Electron energy levels
Density functional theory
Solar cells
Electronic equipment
Agglomeration
Polymerization
Defects

Citer ceci

Pirotte, G. ; Kesters, Jurgen ; Cardeynaels, Tom ; Verstappen, Pieter ; Lutsen, Laurence ; Champagne, Benoît ; Vanderzande, Dirk ; Maes, Wouter. / The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQxff Low Bandgap Polymers. Dans: Macromol Rapid Communications. 2018 ; Vol 39, Numéro 14.
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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 PDTSQxff 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 PDTSQxff affords a solar cell efficiency of 5.4{\%}, which only decreases substantially upon incorporating a homocoupling degree over 50{\%}.",
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The Impact of Acceptor-Acceptor Homocoupling on the Optoelectronic Properties and Photovoltaic Performance of PDTSQxff Low Bandgap Polymers. / Pirotte, G.; Kesters, Jurgen; Cardeynaels, Tom; Verstappen, Pieter; Lutsen, Laurence; Champagne, Benoît; Vanderzande, Dirk; Maes, Wouter.

Dans: Macromol Rapid Communications, Vol 39, Numéro 14, 1800086, 01.07.2018.

Résultats de recherche: Contribution à un journal/une revueArticle

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AU - Pirotte, G.

AU - Kesters, Jurgen

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AU - Verstappen, Pieter

AU - Lutsen, Laurence

AU - Champagne, Benoît

AU - Vanderzande, Dirk

AU - Maes, Wouter

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N2 - 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 PDTSQxff 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 PDTSQxff affords a solar cell efficiency of 5.4%, which only decreases substantially upon incorporating a homocoupling degree over 50%.

AB - 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 PDTSQxff 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 PDTSQxff affords a solar cell efficiency of 5.4%, which only decreases substantially upon incorporating a homocoupling degree over 50%.

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