Optimization of thermoelectric performance in Sm-substituted SrSi₂ via carrier transport and lattice engineering.

IF 6.9 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Science and Technology of Advanced Materials Pub Date : 2025-08-27 eCollection Date: 2025-01-01 DOI:10.1080/14686996.2025.2551486

Vikrant Trivedi, Naohito Tsujii, Takao Mori

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引用次数: 0

Abstract

The pursuit of sustainable thermoelectric materials requires the development of cost-effective and efficient compounds derived from earth-abundant elements. Here, we investigate the effects of samarium (Sm) substitution on the thermoelectric performance of SrSi₂ with compositions Sr_1-x Sm _x Si₂ (x = 0, 0.05, 0.1, 0.15, and 0.2). Substituting Sm for Sr in SrSi₂ enhances the power factor at low substitution levels, while further substitution leads to a decrease, due to increased carrier scattering and reduced Seebeck coefficient. Introducing Sm substitution enhances phonon scattering through point defects, reducing lattice thermal conductivity. A peak figure of merit (ZT) of ~0.23 at room temperature is achieved for Sr₀.₉₅Sm₀.₀₅Si₂, demonstrating a 35% improvement over undoped SrSi₂. The weighted mobility of ~285 cm²/V·s and the tailored thermal transport emphasize the role of Sm substitution in modulating both electronic and thermal properties. These findings establish Sr_1-x Sm _x Si₂ as a promising candidate for next-generation thermoelectric devices.

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利用载流子输运和晶格工程优化sm取代SrSi 2的热电性能。

追求可持续的热电材料需要开发从地球上丰富的元素中提取的具有成本效益和效率的化合物。在这里，我们研究了钐（Sm）取代对Sr1-x Sm x Si2 （x = 0, 0.05, 0.1, 0.15和0.2）的SrSi₂热电性能的影响。在SrSi₂中，用Sm代替Sr提高了低取代水平下的功率因数，而进一步取代导致载流子散射增加和塞贝克系数降低，从而降低了功率因数。引入Sm取代增强了声子通过点缺陷的散射，降低了晶格热导率。Sr₀在室温下达到了~0.23的峰值品质值（ZT）。0₅Si₂，比未掺杂的SrSi₂提高35%。~285 cm2/V·s的加权迁移率和定制的热输运强调了Sm取代在调制电子和热性能方面的作用。这些发现使Sr1-x Sm x Si2成为下一代热电器件的有希望的候选材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Science and Technology of Advanced Materials 工程技术-材料科学：综合

CiteScore

10.60

自引率

3.60%

发文量

审稿时长

4.8 months

期刊介绍： Science and Technology of Advanced Materials (STAM) is a leading open access, international journal for outstanding research articles across all aspects of materials science. Our audience is the international community across the disciplines of materials science, physics, chemistry, biology as well as engineering. The journal covers a broad spectrum of topics including functional and structural materials, synthesis and processing, theoretical analyses, characterization and properties of materials. Emphasis is placed on the interdisciplinary nature of materials science and issues at the forefront of the field, such as energy and environmental issues, as well as medical and bioengineering applications. Of particular interest are research papers on the following topics: Materials informatics and materials genomics Materials for 3D printing and additive manufacturing Nanostructured/nanoscale materials and nanodevices Bio-inspired, biomedical, and biological materials; nanomedicine, and novel technologies for clinical and medical applications Materials for energy and environment, next-generation photovoltaics, and green technologies Advanced structural materials, materials for extreme conditions.