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首页> 外文期刊>IEEE Transactions on Dielectrics and Electrical Insulation >Space charge mechanism of polyethylene and polytetrafluoroethylene by electrode/dielectrics interface study using quantum chemical method
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Space charge mechanism of polyethylene and polytetrafluoroethylene by electrode/dielectrics interface study using quantum chemical method

机译：电极和电介质界面的量子化学方法研究聚乙烯和聚四氟乙烯的空间电荷机理

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摘要

This work studies the space charge mechanisms of PE and PTFE by involving the combination of electronic structures and charge transfer processes at the interfaces of electrode/dielectrics. Experimentally, significant positive charge packets were observed in LDPE when subjected to a high electric stress. However, slight charge accumulations (mainly homo-charges) were observed inside polytetrafluoroethylene (PTFE) under the same condition. The electronic structures of PE and PTFE were calculated by density functional theory (DFT). After that, we obtained the electronic parameters, such as energy level, Fermi level, band gap and electron affinity. A negative electron affinity is determined in PE, indicating an interchain electron charge transport at the bottom of the conduction band. Nevertheless, a positive electron affinity in PTFE exhibits an intrachain electron charge transport. Moreover, injection and charge transfer at electrode/dielectrics interfaces were studied based on the calculated parameters. A low hole injection barrier dominates the positive charge injection and accumulation in LDPE, while a high electron barrier hinders the electron charge injection. In contrast, the hole injection barrier of PTFE is higher than that of LDPE. We discussed these different processes in this paper.
机译：这项工作通过结合电子结构和电极/电介质界面上的电荷转移过程，研究了PE和PTFE的空间电荷机理。实验上，当受到高电应力时，在LDPE中观察到明显的正电荷包。但是，在相同条件下，聚四氟乙烯（PTFE）内部观察到少量的电荷积累（主要是均电荷）。 PE和PTFE的电子结构通过密度泛函理论（DFT）进行计算。之后，我们获得了电子参数，例如能级，费米能级，带隙和电子亲和力。在PE中确定负电子亲和力，表明链间电子电荷在导带的底部传输。然而，PTFE中的正电子亲和力表现出链内电子电荷传输。此外，基于计算的参数研究了电极/电介质界面处的注入和电荷转移。低空穴注入势垒控制着LDPE中的正电荷注入和积累，而高电子势垒则阻止了电子电荷注入。相反，PTFE的空穴注入势垒高于LDPE。我们在本文中讨论了这些不同的过程。

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