ZnO-polyethylene interface: Band alignment

Abstract

Zinc oxide-polyethylene nanocomposites have a potential to be used for high voltage insulation. Here, we investigate electronic properties of zinc oxide-polyethylene interface using density functional theory. Interface states up to 1 eV below conduction band edge are found in polyethylene. Our results suggest that the energy bands of ZnO and polyethylene align to comply with vacuum level equality. We use our findings to establish mechanisms of band alignment at the interfaces between polyethylene and crystal materials.