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Approaching disorder-tolerant semiconducting polymers

Xinwen Yan1,2*, Miao Xiong1,2*, Xin-Yu Deng1*, Kai-Kai Liu1*, Jia-Tong Li1*, Xue-Qing Wang1*, Song Zhang3*, Nathaniel Prine3*, Zhuoqiong Zhang4*, Wanying Huang5*, Yishan Wang5*, Jie-Yu Wang2*, Xiaodan Gu3*, Shu Kong So4*, Jia Zhu5*, 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), doi: 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.

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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

Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International. Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Preprint
X. Yan, M. Xiong, X. Y. Deng, K. K. Liu, J. T. Li, X. Q. Wang, S. Zhang, N. Prine, Z. Zhang, W. Huang, Y. Wang, J. Y. Wang, X. Gu, S. K. So, J. Zhu, T. Lei, NATURE COMMUNICATIONS doi:10.1038/s41467-021-26043-y

Keywords

n-doping disorder-tolerant semiconducting polymers

Version history:

2021.127 (version v1) [This version] Aug 04, 2021 DOI10.24435/materialscloud:tm-yw