Grain boundary modulation improved thermal stability of high thermoelectric performance Mg3(Sb,Bi)2-based compounds

IF 8.3 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Acta Materialia Pub Date : 2025-02-07 DOI:10.1016/j.actamat.2025.120806

Ziming Zhang, Chen Ming, Qingfeng Song, Lei Wang, Hanbing Chen, Jincheng Liao, Chao Wang, Lidong Chen, Shengqiang Bai

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引用次数: 0

Abstract

Mg₃(Sb,Bi)₂-based Zintl compounds are rising stars with superior features of high thermoelectric (TE) performance, nontoxicity and low cost. However, the poor thermodynamic stability hinders its practical application. Here, we propose a design strategy of modulating the local chemical composition with grain boundary (GB) phase guided by computational phase equilibria diagrams. By in-situ constructing ZrSb_1-_x second phase in the GB regions of Mg₃(Sb,Bi)₂-based compounds, the migration of Mg is blocked and the Mg deletion is depressed. Benefit from these, the driving force of Mg-diffusion from matrix to GB and Mg migration along GBs is weakened, resulting in an improved thermal stability without degradation of electrical transport properties. The fabricated 8-pair TE module using GB modulated n-type Mg_3.1Sb_1.5Bi_0.49Te_0.01 and p-type Ge_0.89Cu_0.06Sb_0.08Te presents an efficiency of 8.9% under the temperature difference of 450 K and shows excellent durability in the thermal cycling test. This study provides an effective strategy to improve thermal stability by constructing GB phase, and proves the feasibility of the practical application for Mg₃Sb₂-based TE modules.

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来源期刊

Acta Materialia 工程技术-材料科学：综合

CiteScore

16.10

自引率

8.50%

发文量

801

审稿时长

53 days

期刊介绍： Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.