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共价笼和“响尾蛇”原子在降低锌特金属硫族化合物热导率中的作用。

Role of Covalent Cages and Rattler Atoms in Lowering the Thermal Conductivity in Zintl Metal Chalcogenides.

作者信息

Dutta Moinak, Das Anustoop, Biswas Kanishka

机构信息

New Chemistry Unit, School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Jakkur P.O., Bangalore 560064, India.

出版信息

Inorg Chem. 2024 Oct 28;63(43):20068-20077. doi: 10.1021/acs.inorgchem.4c01544. Epub 2024 Jun 18.

DOI:10.1021/acs.inorgchem.4c01544
PMID:39463179
Abstract

Zintl phases represent a class of compounds, mainly intermetallics, which are characterized by ionic and covalent bonds in the same crystal. Since its discovery in the late 1800s, Zintl phases have found their importance as an academic interest due to their fascinating structure as well as in industry due to their vast applicability. In recent years, the Zintl phase of metal chalcogenides has further demonstrated its ability as a promising thermoelectric material, primarily due to its intrinsically ultralow lattice thermal conductivity (κ). In this viewpoint, we discuss the origin of ultralow κ in Zintl metal chalcogenides. Our viewpoint illustrates how the characteristic structural features and chemical bonding hierarchy in Zintl phases play a pivotal role in suppressing heat transport and why Zintl metal chalcogenides are one of the promising candidates for future high-performance thermoelectrics.

摘要

津特耳相是一类化合物,主要是金属间化合物,其特点是在同一晶体中存在离子键和共价键。自19世纪末被发现以来,津特耳相因其迷人的结构而成为学术研究的热点,同时也因其广泛的适用性在工业领域具有重要地位。近年来,金属硫族化合物的津特耳相进一步展现出作为一种有前景的热电材料的潜力,这主要归功于其固有的超低晶格热导率(κ)。在本文观点中,我们讨论了津特耳金属硫族化合物中超低κ的起源。我们的观点阐述了津特耳相的特征结构特征和化学键层次如何在抑制热传输中发挥关键作用,以及为什么津特耳金属硫族化合物是未来高性能热电材料的有希望的候选者之一。

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