AbstractA comparison of calculated and experimental temperature variation of elastic constants were used to predict types of oxygen—vacancy dopant clusters in yttria stabilised cubic zirconia, which serves as an electrolyte in solid oxide fuelcells. Such clusters were incorporated in supercells set up for molecular dynamics studies, where oxygen transport properties were investigated at concentrations of 9.4 and 24 mol % of yttrium oxide and up to 1600K.
Separating bulk from grain boundary Li ion conductivity in the sol–gel prepared solid electrolyte Li1.5Al0.5Ti1.5(PO4)3