Positive electron affinity of interfacial region in Polyethylene-MgO nanocomposite dielectric

Polymer-based nanocomposite dielectrics are expected to become essential in future generations of high voltage electrical insulation. However, the physics behind their performance is not yet understood. Here we investigate electronic properties of the interfacial area in magnesium oxide-polyethylene nanocomposite. We use density functional theory to calculate densities of states for MgO (100) and hydroxylated MgO (111) interfaces with polyethylene. We evaluate the role of silicon-based nanoparticle surface modification at the electronic level and propose a new theory for charge trapping in nanocomposites.