Xinwen Yan^1,2*, Miao Xiong^1,2*, Xin-Yu Deng^1*, Kai-Kai Liu^1*, Jia-Tong Li^1*, Xue-Qing Wang^1*, Song Zhang^3*, Nathaniel Prine^3*, Zhuoqiong Zhang^4*, Wanying Huang^5*, Yishan Wang^5*, Jie-Yu Wang^2*, Xiaodan Gu^3*, Shu Kong So^4*, Jia Zhu^5*, Ting Lei*^1*

1 Key Laboratory of Polymer Chemistry and Physics of Ministry of Education, School of Materials Science and Engineering, Peking University, Beijing 100871, China

2 Beijing National Laboratory for Molecular Science, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.

3 School of Polymer Science and Engineering, Center for Optoelectronic Materials and Devices, The University of Southern Mississippi, Hattiesburg, MS 39406, USA.

4 Department of Physics, Institute of Advanced Materials, Hong Kong Baptist University, Kowloon Tong, Hong Kong SAR, China.

5 College of Chemistry, Key Laboratory of Theoretical & Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing 100875, China.

* Corresponding authors emails: yanxinwen@pku.edu.cn, xiongmiao@pku.edu.cn, xinyudeng@stu.pku.edu.cn, kaikailiu@pku.edu.cn, guatong@pku.edu.cn, xqwang@stu.pku.edu.cn, song.zhang@usm.edu, Nathaniel.Prine@usm.edu, 18481965@life.hkbu.edu.hk, huangwanying@mail.bnu.edu.cn, wangyishan@mail.bnu.edu.cn, jieyuwang@pku.edu.cn, Xiaodan.Gu@usm.edu, skso@hkbu.edu.hk, zhu.jia@bnu.edu.cn, tinglei@pku.edu.cn

DOI10.24435/materialscloud:tm-yw [version v1]

Publication date: Aug 04, 2021

How to cite this record

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, Ting Lei*, Approaching disorder-tolerant semiconducting polymers, Materials Cloud Archive 2021.127 (2021), https://doi.org/10.24435/materialscloud:tm-yw

Description

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 are often randomly distributed 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 newly 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 new polymer design concept for highly dopable and highly conductive polymeric semiconductors.

Materials Cloud sections using this data

Files

File name	Size	Description
Fig. 1.zip MD5md5:a8296a2044bfd45f0e2e2346b96c44f1	2.4 MiB	Fig. 1 contains the data related to Figure 1 in the manuscript and Fig. S5 and S7 in the Supplementary Information.
Fig. 2.zip MD5md5:14420564bfc3d35a0961dc62156c5293	103.4 KiB	Fig. 2 contains the data related to Figure 2 in the manuscript.
Fig. 3.zip MD5md5:bc60563e2b4fd79ed0fd67310aff8fc6	210.9 KiB	Fig. 3 contains the data related to Figure 3 in the manuscript.
Fig. 4.zip MD5md5:005bf8e3269365b34db9e56a41cfe5d0	63.2 KiB	Fig. 4 contains the data related to Figure 4 in the manuscript.
Fig. 5.zip MD5md5:b7a495fa8d0ee6aa0df35b020c4f0fd5	91.8 MiB	Fig. 5 contains the data related to Figure 5 in the manuscript and Fig. S44 in the Supplementary Information.
SI-1.zip MD5md5:48c21ac79a01a7a4da6a35e5d2a3cafd	1.5 MiB	SI-1 contains the thermal gravity analysis (TGA), differential scanning calorimeter (DSC) characterization, cyclic voltammograms (CV), absorption spectra, fluorescence spectroscopy and PDS spectra .
SI-2.zip MD5md5:0e1f40ed6458840f092d396fecdd6a77	189.2 KiB	SI-2 contains the data related to the GIWAXS characterization, paracrystalline disorder and infrared absorption spectra.
SI-3.zip MD5md5:3159d3ba67f38c9f8aeee88c3c1d5098	20.0 KiB	SI-3 contains the raw data of XPS characterization and AC Hall measurement.
SI-4.zip MD5md5:e64185df7286f9c4bf8c5f5a5624e4dd	236.4 KiB	SI-4 contains the data related to the FET characterization, conductivities, EPR characterization, activation energy and the time-dependent decay of the electrical conductivities.
SI-5.zip MD5md5:578c3c9963c7ca2d21871663f3d9c70e	19.1 MiB	SI-5 contains the data related to the DFT calculations and Molecular dynamics(MD) calculations.
SI-6.zip MD5md5:157c420577081958e7a4f47440f82f1e	8.2 MiB	SI-6 contains the raw data of the NMR spectra of the organic intermediates and the polymers, the mass spectrometry data of some organic intermediates.
README.txt MD5md5:6b8eb0fc4b0754a87d818522320ab899	1.3 KiB	a short description of the files

License

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Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

n-doping disorder-tolerant semiconducting polymers