New ONETEP paper on strontium titanate defects

Researchers from the University of Technology of Gdansk, Poland have used ONETEP to perform large-scale DFT+U calculations on strontium titanate, a promising material for proton-conducting fuel cells. They performed simulations of structures with both oxygen vacancies and hydrogen interstitial defects and were able to interpret experimental conduction and spectroscopic measurements. More details can be found in the paper: