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Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin

机译:氟化环氧树脂中的分子结构调节捕集阱分布和载体迁移

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摘要

Surface charge accumulation on epoxy insulators is one of the most serious problems threatening the operation safety of the direct current gas-insulated transmission line (GIL), and can be efficiently inhibited by the surface modification technology. This paper investigated the mechanisms of fluorination modulated surface charge behaviors of epoxy resin through quantum chemical calculation (QCC) analysis of the molecular structure. The results show that after fluorination, the surface charge dissipation process of the epoxy sample is accelerated by the introduced shallow trap sites, which is further clarified by the carrier mobility model. The electron distribution probability of the highest occupied molecular orbitals (HOMO) under positive charging and the lowest unoccupied molecular orbitals (LUMO) under negative charging shows distinctive patterns. It is illustrated that electrons are likely to aggregate locally around benzenes for the positively charged molecular structure, while electrons tend to distribute all along the epoxy chain under negatively charging. The calculated results verify that fluorination can modulate surface charge behaviors of epoxy resin through redesigning its molecular structure, trap distribution and charging patterns.
机译:环氧绝缘体上的表面电荷累积是威胁直流气体绝缘传输线(GIL)的操作安全性最严重的问题之一,并且可以通过表面改性技术有效地抑制。本文研究了环氧树脂的氟化调制表面电荷行为通过量子化学计算(QCC)分析分子结构分析。结果表明,在氟化后,环氧样品的表面电荷耗散过程通过引入的浅陷阱位点加速,其通过载流子迁移率模型进一步阐明。在负充电下,在正充电下最高占用的分子轨道(HOMO)的电子分布概率和负荷下最低的未占用分子轨道(LUMO)显示出独特的图案。示出了电子可能在苯并上局部聚集,以用于带正电的分子结构,而电子倾向于在负充电下沿着环氧链沿着环氧链分布。计算结果验证氟化可以通过重新设计其分子结构,陷阱分布和充电模式来调节环氧树脂的表面电荷行为。

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