结构 低维度和单对立体化学活性:Pb-Sn-S系统中低导热的关键
Paribesh Acharyya1, Koushik Pal2,3, Bin Zhang4,5
1CRISMAT, CNRS, Normandie Univ, ENSICAEN, UNICAEN, 14000 Caen, France.
Journal of the American Chemical Society
|May 1, 2024
概括
像2D PbSnS2和1D PbSnS3这样的金属硫化物由于它们的结构和单对电子而显示出低的晶格导热性. 这使得它们成为具有成本效益的热电器.
科学领域:
- 材料科学
- 固态物理
- 热电器
背景情况:
- 金属硫化物正在成为热电应用的成本效益高的材料.
- 热电材料将热能转化为电能,反之亦然.
研究的目的:
- 对2D PbSnS2和1D PbSnS3的结构和运输特性进行比较分析.
- 了解这些金属硫化物中控制低晶格导热的内在因素.
主要方法:
- 对结构和运输特性进行比较分析.
- 第一个原理密度函数理论计算.
- 声分散的计算
主要成果:
- 由于2D PbSnS2和1D PbSnS3具有低维度和立体化学活性单对电子,因此具有固有的低晶格导热率 (κL).
- 在室温下记录了1.0 W/ m K (1D PbSnS3) 和0.6 W/ m K (2D PbSnS2) 的 κL值.
- 2D PbSnS2表现出玻璃般的导热性,而1D PbSnS3在低温下表现出类似晶体的行为.
- 密度函数理论揭示了抗结合状态和柔软的声波分支导致低 κL 和声音速度.
结论:
- 低维度和单对电子活动的结合是这些金属硫化物的低导热度的关键.
- 2D PbSnS2和1D PbSnS3的不同热传输行为为热电设备的优化提供了不同的途径.
- 这些发现突显了PbSnS2和PbSnS3作为高效和成本效益的热电材料的潜力.
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