在有限的温度和压力下Mg的热电特性:一项第一原则研究
Qing Peng1,2,3,4, Xinjie Ma2,3, Xiaoyu Yang3,5,6
1School of Science, Harbin Institute of Technology, Shenzhen 518055, China.
Nanomaterials (Basel, Switzerland)
|January 11, 2024
概括
研究人员在不同压力和温度下研究了Mg3Bi2-vSby热电材料. 优化条件,包括n型兴奋剂,显著提高热电性能,达到1.53.3的优点 (zT) 数字.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 固态化学 固态化学
背景情况:
- Mg3Bi2-vSby合金是有前途的室温热电材料.
- 在压力和温度下的热电性质在很大程度上仍未被探索.
研究的目的:
- 研究压力,温度和载体度对Mg3Bi2-vSby热电特性的影响.
- 确定增强热电性能的最佳条件.
主要方法:
- 第一原理计算与博尔兹曼运输方程相结合.
- 对Mg3Bi2-vSby (0 ≤ v ≤ 2) 组合物的系统检查.
主要成果:
- 3Sb2的晶格导热率随着压力增加而下降.
- 功率因子通过n型兴奋剂和施加压力得到增强.
- 功效图 (zT) 随着温度的增加而增加,在优化条件下,Mg3Sb2的功效为1.53.
结论:
- 温度,压力和载体度的协同调节优化了热电特性.
- Mg3Bi2-vSby材料显示出高性能热电应用的潜力.
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