极性侧基产生的准氢键和电荷捕获效应显著抑制了聚丙烯中的电荷传输

IF 4.8 2区 化学 Q2 CHEMISTRY, PHYSICAL The Journal of Physical Chemistry Letters Pub Date : 2024-10-09 DOI:10.1021/acs.jpclett.4c02619
Shixun Hu, Wenjia Zhang, Chi Yao, Shangshi Huang, Zhen Luo, Xiyu Zhang, Xinhua Dong, Xin Yu, Jun Hu, Qi Li, Xiangyang Peng, Jinliang He
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引用次数: 0

摘要

如何从根本上抑制电荷传输是聚合物电介质的基本问题之一。这项研究报告了甲基丙烯酸缩水甘油酯(GMA)侧基对聚丙烯(PP)电荷传输的显著抑制作用。实验和计算研究首次发现了 GMA 的羰基和环氧化物在 PP 分子间/分子内结构中产生的准氢键效应,同时在 HOMO-LUMO 间隙中引入了陷阱能级。由于电荷捕获效应,这些能级抑制了 GMA 改性 PP 的泄漏电流。高极性 GMA 基团与柔性 PP 链相互作用产生的准氢键提高了热稳定性,同时平均了氢与受体氧之间的电子分布,这有利于减少电气薄弱点、抑制电荷传输并最终增强电击穿强度。这项工作为利用分子尺度的电子结构和弱相互作用进行聚合物电介质设计和电荷传输调节提供了新思路。
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Quasi-Hydrogen Bond and Charge-Trapping Effect Originating from Polar Side Group Lead to Significantly Suppressed Charge Transport in Polypropylene
How to fundamentally suppress charge transport is one of the essential issues in polymer dielectrics. This work reports significant charge transport suppression by glycidyl methacrylate (GMA) side group modification on polypropylene (PP). Experimental and computational investigations discover for the first time a quasi-hydrogen bond effect generated by carbonyl and epoxide of GMA in PP inter/intramolecular structure, while introducing trap energy levels within the HOMO–LUMO gap. These energy levels suppress the leakage current of GMA-modified PP thanks to the charge-trapping effect. The quasi-hydrogen bond originating from the interaction between the high-polar GMA group and flexible PP chain raises the thermostability while averaging the electron distribution between hydrogen and acceptor oxygen, which is conducive to lessening electric weak points, suppressing charge transport, and finally enhancing the electrical breakdown strength. This work provides new thinking on polymer dielectric design and charge transport regulation utilizing electron structure and weak interaction at the molecular scale.
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来源期刊
The Journal of Physical Chemistry Letters
The Journal of Physical Chemistry Letters CHEMISTRY, PHYSICAL-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
9.60
自引率
7.00%
发文量
1519
审稿时长
1.6 months
期刊介绍: The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
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