Ag空位对Ag2S热电半导体力学性能的影响

IF 2.9 2区 材料科学 Q2 METALLURGY & METALLURGICAL ENGINEERING
Yao Zhang, Hongtao Wang, Zhongtao Lu, Zifeng Li, Pengfei Wen, Xiaobin Feng, Guodong Li, Bo Duan, Pengcheng Zhai
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引用次数: 0

摘要

Ag空位可以调节Ag2S的热电性能。然而,它们对Ag2S力学性能的影响尚不清楚。本研究制备了不同Ag空位浓度的ag2基样品,并对其力学性能进行了实验和理论研究。随着Ag空位浓度的增加,合金的弯曲强度和断裂应变均降低。随着Ag空位浓度的增加,试样断口上的韧窝尺寸逐渐减小,进一步证实了材料延展性的降低。密度泛函理论结果表明,在低极限应变下,Ag空位导致Ag2S中Ag - s键断裂,从而导致强度和变形能力同时降低,这与实验结果吻合较好。本研究为空位对Ag2S材料力学性能的影响提供了新的认识,可以指导快速离子热电材料的设计。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effect of Ag Vacancies on the Mechanical Properties of Ag2S Thermoelectric Semiconductor

Ag vacancies have been shown to regulate the thermoelectric properties of Ag2S. However, their effect on the mechanical properties of Ag2S remains unclear. In this study, Ag2S-based samples with various Ag vacancy concentration were prepared, and their mechanical properties were investigated experimentally and theoretically. Both the bending strength and fracture strain decrease with increasing Ag vacancy concentration. Moreover, the dimple size on the fracture surfaces of the samples gradually reduces with increasing Ag vacancy concentration, further confirming the reduction in material ductility. Density functional theory results reveal that Ag vacancies lead to the disruption of Ag–S bonds in Ag2S at low ultimate strains, consequently causing a simultaneous reduction in both strength and deformability, which agrees reasonably well with the experimental observations. This work provides new insights into the effect of vacancies on the mechanical properties of Ag2S materials, which could guide the design of fast ionic thermoelectric materials.

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来源期刊
Acta Metallurgica Sinica-English Letters
Acta Metallurgica Sinica-English Letters METALLURGY & METALLURGICAL ENGINEERING-
CiteScore
6.60
自引率
14.30%
发文量
122
审稿时长
2 months
期刊介绍: This international journal presents compact reports of significant, original and timely research reflecting progress in metallurgy, materials science and engineering, including materials physics, physical metallurgy, and process metallurgy.
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