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通过能量频段和缺陷工程,同时提高n型Mg3Sb1.5Bi0.5基Zintls的热电和机械性能

Lu Yu¹, Xiao-Lei Shi², Yuanqing Mao^2,3,4

¹College of New Energy and Materials, China University of Petroleum, Beijing, 102249, People's Republic of China.

|January 2, 2024

概括

与 (Te) 和 (Y) 配合Mg3Sb1.5Bi0.5的配合可提高热电性能. 这种优化实现了超过1.7的峰值值值 (ZT),改善了设备应用的材料稳定性.

科学领域:

材料科学材料科学材料科学
固态物理固态物理
热电学是一种热电学.

背景情况:

在Mg3Sb1.5Bi0.5中实现n型导电性是提高热电性能的关键.
供体兴奋剂策略对于优化热电材料至关重要.

研究的目的:

优化Mg3Sb1.5Bi0.5的热电性质,通过与Te和Y的联合剂.
调查Te和Y联合兴奋剂对电气和热传输特性的影响.
为了提高Mg3Sb1.5Bi0.5.5的优点 (ZT) 和机械性能.

主要方法:

构成设计和费米水平分析的第一原则计算.
与Te和Y共同合Mg3Sb1.5Bi0.5以产生Y0.01Mg3.19Sb1.5Bi0.47Te0.03.0 的结果.
微/纳米结构的表征,以分析缺陷和粒度边界.
测量热电性质,包括功率图 (ZT) 和功率系数.

主要成果:

在Y0.01Mg3.19Sb1.5Bi0.47Te0.03.3K时达到超过1.7的峰值ZT.
催化剂将费尔米水平转移到导电带中,诱导n型行为.
Y-doping进一步改变了费米水平,减少了带隙,并将功率因子提高到>20μW cm-1 K-2.2.
协同兴奋剂诱导了晶格缺陷和粒度边界,分散了声子,并将导热率降低到0.83 W m-1 K-1.1.
由于诱导的网格缺陷,提高了机械性能.

结论:

与Te和Y一起合Mg3Sb1.5Bi0.5是一种有效的策略,可以提高热电性能和机械性能.
该研究为设计先进热电材料的组成和结构提供了一条途径.
优化的热电材料显示出设备应用的巨大潜力.

关键词:

这就是Zintl的意义.缺陷是一个缺陷.兴奋剂的使用兴奋剂的使用机械性能机械性能机械性能热电热电的电力.

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