Approaching disorder-tolerant semiconducting polymers

Xinwen Yan, Miao Xiong, Xin-Yu Deng, Kai-Kai Liu, Jia-Tong Li, Xue-Qing Wang, Song Zhang, Nathaniel Prine, Zhuoqiong Zhang, Wanying Huang, Yishan Wang, Jie-Yu Wang, Xiaodan Gu, Shu Kong So, Jia Zhu and Ting Lei ()
Additional contact information
Xinwen Yan: Peking University
Miao Xiong: Peking University
Xin-Yu Deng: Peking University
Kai-Kai Liu: Peking University
Jia-Tong Li: Peking University
Xue-Qing Wang: Peking University
Song Zhang: The University of Southern Mississippi
Nathaniel Prine: The University of Southern Mississippi
Zhuoqiong Zhang: Hong Kong Baptist University
Wanying Huang: Beijing Normal University
Yishan Wang: Beijing Normal University
Jie-Yu Wang: Peking University
Xiaodan Gu: The University of Southern Mississippi
Shu Kong So: Hong Kong Baptist University
Jia Zhu: Beijing Normal University
Ting Lei: Peking University

Nature Communications, 2021, vol. 12, issue 1, 1-9

Abstract: Abstract Doping has been widely used to control the charge carrier concentration in organic semiconductors. However, in conjugated polymers, n-doping is often limited by the tradeoff between doping efficiency and charge carrier mobilities, since dopants often randomly distribute within polymers, leading to significant structural and energetic disorder. Here, we screen a large number of polymer building block combinations and explore the possibility of designing n-type conjugated polymers with good tolerance to dopant-induced disorder. We show that a carefully designed conjugated polymer with a single dominant planar backbone conformation, high torsional barrier at each dihedral angle, and zigzag backbone curvature is highly dopable and can tolerate dopant-induced disorder. With these features, the designed diketopyrrolopyrrole (DPP)-based polymer can be efficiently n-doped and exhibit high n-type electrical conductivities over 120 S cm−1, much higher than the reference polymers with similar chemical structures. This work provides a polymer design concept for highly dopable and highly conductive polymeric semiconductors.

Date: 2021
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DOI: 10.1038/s41467-021-26043-y

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