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Polymer nanocomposite dielectrics are promising materials for electricalinsulation in high voltage applications. However, the physics behind theirperformance is not yet fully understood. We use density functional theory toinvestigate electronic properties of the interfacial area in magnesiumoxide-polyethylene nanocomposite. Our results demonstrate polyethyleneconduction band matching with conduction bands of different surfaces ofmagnesium oxide. Such band bending results in long range potential wells of upto 2.6 eV deep. Furthermore, the fundamental influence of silicon treatment onmagnesium oxide surface properties is assessed. We report a reduction of thesurface-induced states at the silicon-treated interface. The simulationsprovide information used to propose a new model for charge trapping innanocomposite dielectrics.

Band bending at the interface in Polyethylene-MgO nanocomposite dielectric