期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 136, 期 31, 页码 11128-11133出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja505574a
关键词
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资金
- European Commission [261936, 287818]
- Europees Fonds voor Regionale Ontwikkeling (EFRO) in the Interreg IV A project Organext
- Ministry of Education, Culture and Science (Gravity program) [024.001.035]
We study the occurrence and effect of intrachain homocoupling defects in alternating push pull semiconducting PDPPTPT polymers based on dithienyl-diketopyrrolopyrrole (TDPPT) and phenylene (P) synthesized via a palladium-catalyzed cross-coupling polymerization. Homocoupled TDPPT-TDPPT segments are readily identified by the presence of a low-energy shoulder in the UV/vis/NIR absorption spectrum. Remarkably, the signatures of these defects are found in many diketopyrrolopyrrole (DPP)-based copolymers reported in the literature. The defects cause a reduction of the band gap, a higher highest occupied molecular orbital (HOMO) level, a lower lowest unoccupied molecular orbital (LUMO) level, and a localization of these molecular orbitals. By synthesizing copolymers with a predefined defect concentration, we demonstrate that their presence reduces the short-circuit current and open-circuit voltage of solar cells based on blends of PDPPTPT with [70]PCBM. In virtually defect-free PDPPTPT, the power conversion efficiency is as high as 7.596, compared to 4.5-5.6% for polymers containing 20% to 596 defects.
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