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La3TaO7 derivatives with Weberite structure type: Possible electrolytes for solid oxide fuel cells and high temperature electrolysers

机译:Weberite结构类型的La3TaO7衍生物:可能用于固体氧化物燃料电池和高温电解槽的电解质

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摘要

In this study, with the aim to enhance the ionic conduction of known structures by defect chemistry, the La2O3-Ta2O5 system was considered with a focus on the La3TaO7 phase whose structure is of Weberite type. In order to predict possible preferential substitution sites and substitution elements, atomistic simulation was used as a first approach. A solid solution La3−xSrxTaO7−x/2 was confirmed by X-ray diffraction and Raman spectroscopy; it extends for a substitution ratio up to x = 0.15. Whereas La3TaO7 is a poor oxide ion conductor (σ700 °C = 2 × 10−5S.cm−1), at 700 °C, its ionic conductivity is increased by more than one order of magnitude when 3.3% molar strontium is introduced in the structure (σ700 °C = 2 × 10−4S.cm−1).
机译:在这项研究中,为了通过缺陷化学增强已知结构的离子传导,考虑了La2O3-Ta2O5体系,重点是结构为Weberite型的La3TaO7相。为了预测可能的优先取代位和取代元素,原子模拟被用作第一种方法。通过X射线衍射和拉曼光谱确认了固溶体La3-xSrxTaO7-x / 2。它可以扩展到x = 0.15的替代率。尽管La3TaO7是一种不良的氧化物离子导体(σ700°C = 2×10-5S.cm-1),但在700°C时,当将3.3%的摩尔锶引入其中时,其离子电导率增加一个以上数量级。结构(σ700°C = 2×10-4S.cm-1)。

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