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Effects of Sn Doping and A‐Site Deficiency on the Phases and Electrical Conductivities of the High‐Temperature Proton Conductor LaNbO4
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.6 ) Pub Date : 2020-05-14 , DOI: 10.1002/pssb.202000110
Yun Lv 1 , Shipeng Geng 1 , Tianjie Wei 1 , Junwei Liu 1 , Xiangyu Xu 1 , Huaibo Yi 1 , Jungu Xu 1
Affiliation  

Herein, the phases, defect formation energies, and electrical properties of nominal Sn‐doped LaNb1–xSnxO4–0.5x and A‐site deficient La1–xNbO4–1.5x materials are reported. LaNb1–xSnxO4–0.5x shows a solid‐solution limit close to x = 0.03 with the defect formation energy of ≈4.13 eV. Higher conductivities are observed under wet than dry conditions, suggesting a considerable protonic contribution in the Sn‐doped materials. The calculated defect formation energy of ≈9.18 eV for creating La vacancies in La sublattice in LaNbO4 agrees well with the fact that there are mixed dominating parent LaNbO4 and minor orthorhombic La0.33NbO3 phases in nominal La1–xNbO4–1.5x samples. The electrical property studies reveal no proton conduction but strong n‐type electronic conduction in La1–xNbO4–1.5x from the minor La0.33NbO3 phase.

中文翻译:

锡掺杂和铝土缺乏对高温质子导体LaNbO4的相和电导率的影响

在此,报告了标称掺锡LaNb 1x Sn x O 4–0.5 x和A位置La 1x NbO 4–1.5 x材料的相,缺陷形成能和电性能。LaNb 1– x Sn x O 4–0.5 x表示固溶极限接近x  = 0.03,缺陷形成能为≈4.13eV。在潮湿条件下观察到的电导率高于干燥条件下的电导率,这表明掺锡材料中的质子贡献很大。计算出的在LaNbO的La子晶格中产生La空位的缺陷形成能≈9.18eV4的事实,有混合支配父LANBO吻合良好4和短轴正交的La 0.33的NbO 3个标称的La分阶段1- X的NbO 4-1.5 X样品。电学研究表明,在La 1– x NbO 4–1.5 x较小的La 0.33 NbO 3相中,没有质子传导,但有强n型电子传导。
更新日期:2020-05-14
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