For the development of proton-based electrolytes, high proton conductivity at intermediate temperatures (300-600 oC) 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 oC. 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 landscape of proton, 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.

中文翻译：

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Ba5Er2Al2ZrO13（一种具有固有缺氧层的六方钙钛矿相关氧化物）中的高质子电导率

对于质子基电解质的开发，中等温度（300-600 oC）下的高质子电导率至关重要，但可用材料仅限于有限数量的结构家族，例如立方钙钛矿。在此，我们报告了 Ba5Er2Al2ZrO13，一种六方钙钛矿相关氧化物，作为一类新的质子导体，在 300 到 1200 oC 之间表现出比 10-3 S cm-1 更高的电导率。发现作为电荷载流子的质子存在于 Ba5Er2Al2ZrO13 固有的缺氧 h' 层中，这得到了中子衍射数据的 Rietveld 分析、基于键价的质子能量图谱和热重分析的支持。我们发现了具有固有缺氧 h' 的质子导体的新结构族