Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors
Polymer semiconductors as a key component of electronic skin need to maintain the coexistence of stretchability and electrical functionalities. However, repeated stretching-compressing cycles inevitably lead to the charge mobilities decreasing and poor working performance of polymer semiconductors....
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sg-ntu-dr.10356-1711442023-10-20T15:44:36Z Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors Chen, Xi Li, Ke Min, Benzhi Li, Zibiao Duan, Lian Li, Haoyuan Li, Shuzhou School of Materials Science and Engineering Engineering::Materials Chain Alignments Charge Mobilities Polymer semiconductors as a key component of electronic skin need to maintain the coexistence of stretchability and electrical functionalities. However, repeated stretching-compressing cycles inevitably lead to the charge mobilities decreasing and poor working performance of polymer semiconductors. Here, a method combining molecular dynamics (MD) simulations and charge transport theory was developed to obtain the morphology-mobility relationship of amorphous poly(3-hexylthiophene) (P3HT). The simulation results show that the hole mobility decreases by 6% along the strain direction after three stretching-compressing cycles with 80% strain. These results are due to the chain alignment change caused by the mechanical operations. The stretched P3HT material presents higher charge mobility due to its better chain alignment, while the compressed P3HT shows lower charge mobility because of the poor chain alignment. Repeated stretching-compressing cycles lead to the chain alignment parameters decreasing along the deformation direction with accumulation and saturation effects. The repeated cycles also result in the primitive path length decreasing, which indicates polymer chain spatial distribution is more localized after repeated deformations. Our findings provide microscale knowledge about the dependence of molecular morphology and charge mobility on stretching-compressing cycles, which can help to guide the design of polymer semiconductors with higher charge mobility under repeated stretching-compressing cycles. Ministry of Education (MOE) Submitted/Accepted version We thank the financial support from MOE Academic Research Fund Tier2 (MOE-T2EP10220-0005). 2023-10-16T01:41:13Z 2023-10-16T01:41:13Z 2023 Journal Article Chen, X., Li, K., Min, B., Li, Z., Duan, L., Li, H. & Li, S. (2023). Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors. Macromolecules, 56(17), 7078-7085. https://dx.doi.org/10.1021/acs.macromol.3c01071 0024-9297 https://hdl.handle.net/10356/171144 10.1021/acs.macromol.3c01071 2-s2.0-85169169699 17 56 7078 7085 en MOE-T2EP10220-0005 Macromolecules © 2023 American Chemical Society. All rights reserved. This article may be downloaded for personal use only. Any other use requires prior permission of the copyright holder. The Version of Record is available online at http://doi.org/10.1021/acs.macromol.3c01071. application/pdf |
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Engineering::Materials Chain Alignments Charge Mobilities Chen, Xi Li, Ke Min, Benzhi Li, Zibiao Duan, Lian Li, Haoyuan Li, Shuzhou Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
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Polymer semiconductors as a key component of electronic skin need to maintain the coexistence of stretchability and electrical functionalities. However, repeated stretching-compressing cycles inevitably lead to the charge mobilities decreasing and poor working performance of polymer semiconductors. Here, a method combining molecular dynamics (MD) simulations and charge transport theory was developed to obtain the morphology-mobility relationship of amorphous poly(3-hexylthiophene) (P3HT). The simulation results show that the hole mobility decreases by 6% along the strain direction after three stretching-compressing cycles with 80% strain. These results are due to the chain alignment change caused by the mechanical operations. The stretched P3HT material presents higher charge mobility due to its better chain alignment, while the compressed P3HT shows lower charge mobility because of the poor chain alignment. Repeated stretching-compressing cycles lead to the chain alignment parameters decreasing along the deformation direction with accumulation and saturation effects. The repeated cycles also result in the primitive path length decreasing, which indicates polymer chain spatial distribution is more localized after repeated deformations. Our findings provide microscale knowledge about the dependence of molecular morphology and charge mobility on stretching-compressing cycles, which can help to guide the design of polymer semiconductors with higher charge mobility under repeated stretching-compressing cycles. |
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School of Materials Science and Engineering |
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School of Materials Science and Engineering Chen, Xi Li, Ke Min, Benzhi Li, Zibiao Duan, Lian Li, Haoyuan Li, Shuzhou |
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Article |
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Chen, Xi Li, Ke Min, Benzhi Li, Zibiao Duan, Lian Li, Haoyuan Li, Shuzhou |
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Chen, Xi |
title |
Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
title_short |
Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
title_full |
Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
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Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
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Origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
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origins of charge mobility decreasing from stretching–releasing cycles in polymer semiconductors |
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2023 |
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https://hdl.handle.net/10356/171144 |
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