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- W2912266779 abstract "We demonstrate that the chemistry at the interface between nanoparticle and polymer matrix influence charge dynamics in polymer nanocomposite. Applying density functional theory, we investigate the influence of crystal surface termination, silicon treatment, and water and carboxyl defect on the electronic properties of interfaces in MgO-polyethylene nanocomposite. The band offsets between the nanofiller and base matrix materials show a strong dependence on the chemical composition at the interface. Based on the calculated electronic structure, we propose a band alignment model for charge dynamics in nanocomposite dielectrics. The model not only provides a mechanism of reduction of space charge and conductivity but also predicts an increase in thermal stress and susceptibility to the chemical additives. It is suggested that the suppression mechanisms of space charge and conductivity in nanocomposites can be inherently unstable and promote material aging. The results of the study show a need for long-term performance tests of nanocomposite dielectrics." @default.
- W2912266779 created "2019-02-21" @default.
- W2912266779 creator A5037293204 @default.
- W2912266779 creator A5086848068 @default.
- W2912266779 date "2019-01-28" @default.
- W2912266779 modified "2023-10-01" @default.
- W2912266779 title "Impact of interfacial structure on the charge dynamics in nanocomposite dielectrics" @default.
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- W2912266779 doi "https://doi.org/10.1063/1.5078800" @default.
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