开发热电接口材料的选策略
Liangjun Xie1, Li Yin2, Yuan Yu3
1State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001, China.
Science (New York, N.Y.)
|November 23, 2023
概括
使用相图预测的新策略将MgCuSb确定为高性能发电机的稳定热电接口材料. 这种方法超越了试错方法,使高效的热电设备可靠地开发.
科学领域:
- 材料科学
- 固态物理
- 能源转换
背景情况:
- 热电发电机需要稳定的接口材料来有效地转换能量.
- 目前的热电接口材料 (TEiM) 通常缺乏性能稳定性.
- 传统的TEiM选择在很大程度上依赖于经验,试错实验.
研究的目的:
- 为可靠的热电接口材料 (TEiM) 制定预测选策略.
- 确定基于MgAgSb的高性能热电器的稳定TEiM.
- 在加速材料发现方面展示计算方法的有效性.
主要方法:
- 用于相图预测的密度函数理论 (DFT) 计算.
- 将相图数据与电阻和点分析相结合.
- 使用选定的TEiM进行热电模块的实验制造和测试.
主要成果:
- 确定MgCuSb为MgAgSb的可靠TEiM,在长时间的高温回火后显示稳定性.
- 在MgCuSb/MgAgSb连接处达到较低的界面接触电阻 (<1微hm cm2).
- 在300K温度梯度下制造了一种具有9.25%转换效率的热电模块.
结论:
- 基于DFT的阶段图选策略可以有效地识别稳定的TEiM.
- 在高性能热电应用中,MgCuSb是一个有前途的TEiM.
- 开发的战略可以广泛应用于推进热电材料的开发.
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