在Lillianite结构类型中的不相称调制的Cu0.9Pb1.2Sb2.9Se6
Maxim Grauer1, Lennart Staab1, Katharina Ueltzen1
1Institute for Mineralogy, Crystallography and Materials Science; Faculty of Chemistry and Mineralogy, Leipzig University, Scharnhorststraße 20, 04275 Leipzig, Germany.
Inorganic chemistry
|December 1, 2023
概括
这项研究揭示了Cu-Pb-Sb-Se化合物中调制的lilianite类型结构,表现出半导体特性和高达0.1.1的热电功率. 进一步优化可以提高热电性能.
科学领域:
- 固态化学 固态化学
- 材料科学 材料科学 材料科学
- 晶体学 晶体学是指结晶学.
背景情况:
- 研究新型热电材料对于能源采集至关重要.
- 莉利亚尼特类型的结构以其潜在的热电特性而闻名.
- 了解复杂的素化物中的结构-性质关系是关键.
研究的目的:
- 在室温下描述Cu$_{0.9}$Pb$_{1.2}$Sb$_{2.9}$Se$_{6}$的晶体结构.
- 在高温下研究相位过渡和结构变化.
- 为了评估合成材料的热电性质.
主要方法:
- 单晶X射线衍射与同步子辐射用于细节结构的精细化.
- 超空间组分析来描述不相称的调制结构.
- 高分辨率传输电子显微镜 (HRTEM) 用于结构的巩固.
- 运输属性测量以确定热电性能.
主要成果:
- 确定了一种具有不相称调节的lilianite类型结构 (超空间群 *Cmcm*(α00) 00*s*) 的相.
- 观察到涉及Sb和Cu原子的位置和职业调制.
- 一个可逆的相位过渡发生在523K以上,导致混乱增加.
- 该材料表现出p型半导体行为,其热电功率值 (*zT*) 在623K时高达0.1.
结论:
- 复杂的调制结构影响了热电特性.
- 观察到的相位过渡会影响格子参数和物理性质.
- 微小的替代可能会优化载体度并提高热电效率 (*zT*).
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