Abstract The implications of acceptor-bound ionic defects in the hydration of acceptor-doped cubic perovskite BaSnO3 are elucidated based on the thermogravimetric analysis of water uptake and the authors’ recent statistical theory. The oxides BaSn1–xScxO3–δ (0.10 ≤ x ≤ 0.37) and BaSn0.9Sc0.1–xInxO3–δ (x = 0.05, 0.10) were synthesized and experimentally studied. The thermogravimetric measurements showed very good hydration properties of BaSn1–xScxO3–δ: the low-temperature hydrogen concentration was close to the nominal dopant content for all doping levels. The obtained data pertaining to the dopant concentration effect on the hydration isobars are well described by the exploited theory that accounts for the trapping of protons and oxygen vacancies by acceptors. The experimental findings on the effect of scandium substitution with indium on the hydrogen dissolution in the BaSn0.9Sc0.1–xInxO3–δ oxides are also in good agreement with our theoretical predictions. In addition, we discuss the impact of trapping on the hydration enthalpy, entropy and Gibbs free energy of BaSnO3 doped with various acceptors, and establish the type and concentration of acceptor impurities which enhance or inhibit hydration. Our results testify to the pivotal role of the defects’ trapping by acceptors in the hydration of barium stannate, and demonstrate that this effect is important for understanding and prediction of the hydration properties of acceptor-doped perovskites.

中文翻译：

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受主掺杂 BaSnO3 的水合：离子缺陷束缚态的影响

摘要 基于吸水率的热重分析和作者最近的统计理论，阐明了受主掺杂立方钙钛矿 BaSnO3 水合过程中受主束缚离子缺陷的影响。合成并实验研究了氧化物 BaSn1–xScxO3–δ (0.10 ≤ x ≤ 0.37) 和 BaSn0.9Sc0.1–xInxO3–δ (x = 0.05, 0.10)。热重测量显示 BaSn1–xScxO3–δ 具有非常好的水合特性：低温氢浓度接近所有掺杂水平的标称掺杂剂含量。所获得的与掺杂剂浓度对水合等压线的影响有关的数据通过已开发的理论得到了很好的描述，该理论解释了受体对质子和氧空位的捕获。关于钪取代铟对 BaSn0.9Sc0.1-xInxO3-δ 氧化物中氢溶解影响的实验结果也与我们的理论预测非常一致。此外，我们讨论了捕获对掺杂各种受体的 BaSnO3 的水化焓、熵和吉布斯自由能的影响，并确定了增强或抑制水化作用的受体杂质的类型和浓度。我们的结果证明了受体捕获缺陷在锡酸钡水合中的关键作用，并证明这种效应对于理解和预测受体掺杂钙钛矿的水合性质很重要。我们讨论了捕获对掺杂各种受体的 BaSnO3 的水化焓、熵和吉布斯自由能的影响，并确定了增强或抑制水化作用的受体杂质的类型和浓度。我们的结果证明了受体捕获缺陷在锡酸钡水合中的关键作用，并证明这种效应对于理解和预测受体掺杂钙钛矿的水合性质很重要。我们讨论了捕获对掺杂各种受体的 BaSnO3 的水化焓、熵和吉布斯自由能的影响，并确定了增强或抑制水化作用的受体杂质的类型和浓度。我们的结果证明了受体捕获缺陷在锡酸钡水合中的关键作用，并证明这种效应对于理解和预测受体掺杂钙钛矿的水合性质很重要。