第37卷第1期 2016年2月
热处理技术与装备
RECHULIJISHUYUZHUANGBEI
Vol.37,No.1 Feb,2016
·性能研究，
Sn4+掺杂 LaNbO4陶瓷的组织结构及导电性能研究
闫扶摇，崔皎洁，刘占国，欧阳家虎
（哈尔滨工业大学材料科学与工程学院，黑龙江哈尔滨150001)
摘要：本文采用高温固相反应法制备了Sn**掺杂LaNbO。陶瓷粉体，随后对块体的成型及烧结工艺进行优化，对组织结构、导电性能和化学稳定性进行了测试分析，最后利用第一性原理计算对水蒸气条件下的导电机理进行了研究。态密度结果、能谱成分分析及导电性能测试结果显示Sn*的最适宜掺杂量为0.5~1at.%。当Sn*掺杂量为0.5at.%时，LaNbO。陶瓷具有最高的电导率，且为纯质子导电机制。LaNbO。陶瓷具有良好的化学稳定性，且Sn元素的掺入未对LaNbO，陶瓷的化学稳定性产生影响。第一性原理计算结果显示水分子在含氧空位的LaNbO。(010)表面上方会自发解离为质子和羟基，且倾向于在氧空位上方发生解离。
关键词：质子导体；LaNbO。陶瓷;Sn**离子掺杂；电导率；组织结构
中图分类号：TG174.445文献标志码：A文章编号：1673-4971(2016)01-0067-10
Structures andElectrical Conductivity of Sn*+-dopedLaNbO,Ceramic
YANFu-yaoCUIJiao-jie，LIUZhan-guo,OUYANGJia-hu
(School of Materials Science and Engineering, Harbin Institute of Technology ,Harbin Heilongjiang 150001 ,China)
Abstract: In the present work, Sn**-doped LaNbO, ceramic powders were synthesized through high-tem-perature solid state reactions. The processing parameters of shaping and sintering were then optimized. The structure, electrical conductivity and chemical stability were also tested and analyzed. And the mecha-nisms of conductivity under water vapor conditions were studied via first principles calculations. The appro-priate concentration of Sn** ions is determined as O. 5 to 1 at. % by DOS figures, EDS component analysis and the results of conductivity. When LaNbO, ceramic is doped with 5 at. % Sn*+ ions, it exhibits the highest conductivity as well as the pure protonic conducting mechanism. LaNbO, has excellent chemical stability, and the introduction of Sn*+ ions has no effect on chemical stability. From the results of the first principles calculations, water molecules may dissociate into protons and hydroxyls over oxygen-deficient
LaNbO, (010) surface, and they tend to dissociate over the sites of the oxygen vacancies Key words:proton conductors; LaNbO, ceramics; Sn* doping; conductivity; structure
为了发展清洁能源，固体氧化物燃料电池已成为世界性研究课题。电解质材料是其中一个非常重要的组成部分，主要分为氧离子导体电解质和质子导体电解质。LaNbO，陶瓷是一种新型的高温质子
收稿日期：2015-05-26
作者简介：月扶据（1990.8-），女，本科，主要从事材料投计方面研究。
导体材料【1.2]。该种材料与传统的钙钛矿型质子导体材料相比，在酸性气氛条件下具有良好的化学稳定性，故作为固体氧化物燃料电池电解质具有极好的应用前景。但是与传统的高温质子导体材料相
联系电话：18478686768;E-mail;fuyaoyan2018@u.northwestem.edu
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