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异构型Zr的高热电性能出乎意料

Xiaoping Wang¹, Hangbo Qi², Ning Wang³

¹School of Civil Engineering and Geomatics, Southwest Petroleum University, Chengdu 610500, People's Republic of China.

Journal of physics. Condensed matter : an Institute of Physics journal

|June 2, 2023

概括

在热电应用中,Zr2Cl4单层显示出前景. 这种材料在p型和n型导电性方面都表现出高的功率 (ZT) 值,这是由增强的电特性驱动的.

科学领域:

材料科学材料科学材料科学
固态物理固态物理

背景情况:

在热电 (TE) 应用中,Hf2Cl4型材料越来越受欢迎.
对这些材料的研究,特别是Zr2Cl4,是有限的.

研究的目的:

为了研究Zr2Cl4单层的热电特性.
评估其在实际TE设备应用中的潜力.

主要方法:

使用了第一原则计算.
波兹曼运输方程被用来确定TE参数.

主要成果:

单层Zr2Cl4具有很高的晶格导热率.
获得了高水平的优点 (ZT) 值:p型为3.90,n型为3.60.
由于电导率的方向差异,观察到ZT值的显著异构.

结论:

无论是n型和p型Zr2Cl4单层,都显示出热电应用的潜力.
增强的电导率和功率因子有助于高ZT值.

关键词:

博尔兹曼的运输方式在Zr2Cl4单层中.不同类型的异型性异型性第一个原则是计算计算.热电热电的电力.

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