Publication date: Aug 04, 2021
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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Fig. 1.zip
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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
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103.4 KiB | Fig. 2 contains the data related to Figure 2 in the manuscript. |
Fig. 3.zip
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210.9 KiB | Fig. 3 contains the data related to Figure 3 in the manuscript. |
Fig. 4.zip
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63.2 KiB | Fig. 4 contains the data related to Figure 4 in the manuscript. |
Fig. 5.zip
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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
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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
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189.2 KiB | SI-2 contains the data related to the GIWAXS characterization, paracrystalline disorder and infrared absorption spectra. |
SI-3.zip
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20.0 KiB | SI-3 contains the raw data of XPS characterization and AC Hall measurement. |
SI-4.zip
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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
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19.1 MiB | SI-5 contains the data related to the DFT calculations and Molecular dynamics(MD) calculations. |
SI-6.zip
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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
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1.3 KiB | a short description of the files |
2021.127 (version v1) [This version] | Aug 04, 2021 | DOI10.24435/materialscloud:tm-yw |