Abstract
Oxide-ion and proton conductors have a variety of applications such as solid-oxide fuel cells (SOFCs). Here we report BaY1/3Ga2/3O2.5 as a new structural-type mixed oxide-ion and proton conductor. Rietveld refinement of neutron-diffraction data indicated that BaY1/3Ga2/3O2.5 is a Ga/Y-cation- and O/VVO×-anion-ordered perovskite-related oxide with the large amount of ‘intrinsic oxygen vacancy’ VVO× (16.7%), which was supported by bond-valance sums (BVSs) and ab initio DFT structural optimization. Temperature and oxygen partial pressure dependencies of electrical conductivity of BaY1/3Ga2/3O2.5 in dry and wet atmospheres indicated that this compound exhibits high chemical and electrical stability and belongs to a new structure family of oxide-ion and proton conductors.
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