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Communication: Band bending at the interface in polyethylene-MgO nanocomposite dielectric
KTH, School of Electrical Engineering (EES), Electromagnetic Engineering.
KTH, School of Chemical Science and Engineering (CHE), Fibre and Polymer Technology.
KTH, School of Electrical Engineering (EES), Electromagnetic Engineering.
2017 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 146, no 5, 051101Article in journal (Refereed) Published
Abstract [en]

Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate the electronic properties of the interfacial area in magnesium oxide-polyethylene nanocomposite. Our results demonstrate polyethylene conduction band matching with conduction bands of different surfaces of magnesium oxide. Such band bending results in long range potential wells of up to 2.6 eV deep. Furthermore, the fundamental influence of silicon treatment on magnesium oxide surface properties is assessed. We report a reduction of the surface-induced states at the silicon-treated interface. The simulations provide information used to propose a new model for charge trapping in nanocomposite dielectrics.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2017. Vol. 146, no 5, 051101
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-208126DOI: 10.1063/1.4975318ISI: 000394576600001PubMedID: 28178802ScopusID: 2-s2.0-85011805328OAI: oai:DiVA.org:kth-208126DiVA: diva2:1106121
Funder
SweGRIDS - Swedish Centre for Smart Grids and Energy StorageVINNOVA, 2015-06557
Note

QC 20170607

Available from: 2017-06-07 Created: 2017-06-07 Last updated: 2017-06-07Bibliographically approved

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Kubyshkina, ElenaUnge, MikaelJonsson, B. Lars G.
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