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High Proton Conductivity in Ba5Er2Al2ZrO13, a Hexagonal Perovskite-Related Oxide with Intrinsically Oxygen-Deficient Layers

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journal contribution
posted on 25.06.2020, 16:14 by Taito Murakami, James R. Hester, Masatomo Yashima
For the development of proton-based electrolytes, high proton conductivity at intermediate temperatures (300–600 °C) is crucial, but the available materials have been confined to a limited number of the structure families, such as cubic perovskites. Herein, we report Ba5Er2Al2ZrO13, a hexagonal perovskite-related oxide, as a new class of proton conductors exhibiting higher conductivities than 10–3 S cm–1 between 300 and 1200 °C. The protons as charge carriers are found to exist in the inherently oxygen-deficient h′ layer of Ba5Er2Al2ZrO13, which are supported by Rietveld analysis of neutron-diffraction data, bond-valence-based energy calculations, and thermogravimetric analysis. Our discovery of a new structure family of proton conductors with the inherently oxygen-deficient h′ layer offers a strategy in designing superior proton conductors based on hexagonal perovskite-related oxides.