Computational study of the Convex Hull energies of new solid state superionic materials and Bond Valence Mismatch of screened structures

Superionic Conductors are currently a large area of focus for research across the world. With the requirement for transition from using traditional methods of energy production to cleaner methods, there is a large requirement for storing the energy produced by less consistent greener methods i.e. wind power, solar power and hydro power. The requirement for better storage systems for energy has directed the focus onto improving battery and fuel cell technology. In order to meet the demands for energy storage, an improvement of battery and fuel cell technology must occur. Developing a new solid superionic conductor would lead to a much-improved battery technology. The aim of the research project being undertaken is to employ computational methods such as convex hull energy studies and bond valence sum mismatch high throughput analysis, to identify new potential material candidates as solid state superionic conductors. Collaboration with experimental solid state chemists is also integral to the project in further developing materials and identifying new potential candidates.