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Title: | Relation between the Electronic Properties of Regioregular Donor-Acceptor Terpolymers and Their Binary Copolymers | Authors: | HEINTGES, Gael Bolduc, Andreanne Meskers, Stefan C. J. Janssen, Rene A. J. |
Issue Date: | 2020 | Publisher: | AMER CHEMICAL SOC | Source: | JOURNAL OF PHYSICAL CHEMISTRY C, 124 (6) , p. 3503 -3516 | Abstract: | By analyzing the optical band gap and energy levels of seven different regioregular terpolymers in which two different electron-rich donor moieties are alternating with a common electron-deficient acceptor unit along the backbone, we establish a direct correlation with the properties of the corresponding binary copolymers in which one donor and one acceptor are combined. For this study, we use diketopyrrolopyrrole as the common acceptor and different pi-conjugated aromatic oligomers as donors. We find that the optical band gap and frontier orbital energies of the terpolymers are the arithmetic average of those of the parent copolymers with remarkable accuracy. The same relationship is also found for the opencircuit voltage of the bulk heterojunction solar cells made with the ter- and copolymers in combination with [6,6]-phenyl-C-71-butyric acid methyl ester. Comparison of these findings with data in the literature suggests that this is a universal rule that can be used as a tool when designing new pi-conjugated polymers. The experimental results are supported by a semiempirical quantum chemical model that accurately describes the energy levels of the terpolymers after parametrization on the energy levels of the copolymers and also provides a theoretical explanation for the observed arithmetic relations. | Notes: | Meskers, SCJ; Janssen, RAJ (reprint author), Eindhoven Univ Technol, Mol Mat & Nanosyst, NL-5600 MB Eindhoven, Netherlands.; Meskers, SCJ; Janssen, RAJ (reprint author), Eindhoven Univ Technol, Inst Complex Mol Syst, NL-5600 MB Eindhoven, Netherlands.; Janssen, RAJ (reprint author), Dutch Inst Fundamental Energy Res, NL-5612 AJ Eindhoven, Netherlands. s.c.j.meskers@tue.nl; r.a.j.janssen@tue.nl |
Other: | Meskers, SCJ; Janssen, RAJ (reprint author), Eindhoven Univ Technol, Mol Mat & Nanosyst, NL-5600 MB Eindhoven, Netherlands; Eindhoven Univ Technol, Inst Complex Mol Syst, NL-5600 MB Eindhoven, Netherlands; Dutch Inst Fundamental Energy Res, NL-5612 AJ Eindhoven, Netherlands. s.c.j.meskers@tue.nl; r.a.j.janssen@tue.nl | Keywords: | Polymer Solar-Cells;Charge-Transfer States;Open-Circuit Voltage;Band-Gap;Highly Efficient;Semiconducting Polymers;Conjugated Polymers;High-Performance;Photovoltaic Performance;Rational Design | Document URI: | http://hdl.handle.net/1942/31117 | ISSN: | 1932-7447 | e-ISSN: | 1932-7455 | DOI: | 10.1021/acs.jpcc.9b11562 | ISI #: | WOS:000514221600009 | Rights: | This is an open access article published under a Creative Commons Non-Commercial No Derivative Works (CC-BY-NC-ND) Attribution License, which permits copying and redistribution of the article, and creation of adaptations, all for non-commercial purposes. | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2021 |
Appears in Collections: | Research publications |
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