Computational Discovery of New Spectrally Selective Materials for Thin Film Applications

Transparent thin films with the ability to reduce the intensity or completely block out specific wavelengths of solar radiation whilst maintaining transparency towards visible light are of utmost importance as they can provide protection from long exposure from the likes of harmful solar radiation. Some commonly used materials are able to block some types, but not all of the harmful radiation, they often have shortcomings such as optical loss within the visible range. Here we approach the challenging task of developing a material that can be applied as a thin film, has high optical transparency whilst blocking UV and IR radiation. We do this using density functional theory, a computational based method, used to predict the properties of materials, as well as potential new materials.