Abstract

Hydrolyzable chlorine is a well-known residue issued from the synthesis of epoxy resin, which may impart specific dielectric properties. In this work, the changes in distributed energy levels and charge trap depths of the molecule containing such defects are investigated using quantum chemical calculations. These changes are analyzed from the microscopic perspectives of electron energy structure and electron cloud offset. The charge transport and charge injection behavior in epoxy materials before and after the hydrolysis are predicted using the analysis results. The volume resistivities and space charges of epoxy materials with three different hydrolyzable chlorine contents are tested at different hygrothermal aging times, which are consistent with the previous predictions. These results are used to explain the ac breakdown strength of these epoxy materials at different hygrothermal aging times. It is indicated that the structural changes (electronegativity and atomic position changes) of the molecule containing hydrolyzable chlorine before and after hydrolysis change the spatial distribution of electron cloud density between and on valence bonds, and in turn, change the energy levels of different molecular segments. This results in a large increase in the overall electron trap depth and a small decrease in the overall hole trap depth of the molecule after hydrolysis.

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