Characterizing chemical stability and proton conductivity of B-site doped barium hafnate (BaHfO3) and barium stannate (BaSnO3) with first principles modeling
First-principles modeling was used to examine the chemical stability and proton conductivity of doped perovskite. We investigated the chemical stability and proton conductivity of doped BaHfO3 and doped BaSnO3. Doped Barium Hafnate showed the higher chemical stability (Ga) and proton conductivity (La) than doped Barium Stannate.