ACS Applied Energy Materials
·
2025
·
IF 5.5
Huanjun Su,Weili Shi,Yumeng Zhang,Ying Lin,Yani Liu
Mg3Sb2 Zintl compounds have emerged as promising thermoelectric materials due to their favorable electronic structures and low lattice thermal conductivity. However, strong carrier scattering, including ionized impurity and grain boundary scattering, suppresses mobility and limits the power factor. This study reveals that Zn doping plays a crucial role in tuning carrier scattering mechanisms in n-type Mg3(Sb,Bi)2. The substitution of Mg with Zn weakens ionized impurity scattering, facilitating charge transport and increasing carrier mobility from ∼72 to ∼135 cm2 V–1 s–1. As a result, a high power factor of ∼2089 μW m–1 K–2 is achieved at 573 K in Mg3.155Zn0.045Sb1.5Bi0.49Te0.01. Furthermore, Zn incorporation introduces localized lattice distortions and promotes the formation of high-density dislocations, which intensify phonon scattering and significantly suppress lattice thermal conductivity to ∼0.54 W m–1 K–1 at 773 K. These synergistic enhancements contribute to an optimized thermoelectric performance, yielding a peak ZT of 1.71 at 773 K and an average ZT of 1.21. The estimated conversion efficiency reaches 13% under a 470 K temperature gradient, highlighting Zn doping as an effective strategy for advancing Mg3(Sb,Bi)2-based thermoelectric materials toward high-temperature energy harvesting applications.
研究领域:
材料科学
·
能源材料
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Materials Chemistry A
·
2024
·Vol. 12
·期 15
·8893-8899
·
IF 10.7
Ziming Zhang,Zhiqiang Gao,Tingting Deng,Qingfeng Song,Lidong Chen,Shengqiang Bai
Mg3(Sb,Bi)2-based Zintl compounds have attracted lots of attention due to their high thermoelectric performance and good mechanical properties. However, thermally activated mobility, which is ascribed to the grain boundary scattering, greatly limits their practical use. In this work, we reveal the plasticity of Mg3(Sb,Bi)2-based compounds in the compressive strength test. The ab initio analysis indicates that this plasticity should be ascribed to the low slip barrier energy (∼580 mJ m−2), which is only one third of the cleavage energy (∼1600 mJ m−2). Based on this finding, we propose a cold-deformation procedure to elongate particles and to enhance texture, which successfully suppresses the grain boundary scattering. As a result, a high carrier mobility of 86.6 cm2 V−1 s−1 and a high power factor of 16.2 μW cm−1 K−2 in Mg3.1Bi1.5Sb0.49Te0.01 are obtained at room temperature. The plastic deformation capacity of Mg3(Sb,Bi)2 compounds provides a near-net-forming method to fabricate special-shaped devices at room-temperature, which will extend the application fields of thermoelectric techniques.
研究领域:
材料科学
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凝聚态物理
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无机非金属材料
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热电转换
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固态物理化学
✓ 已验证
DOI
高影响因子
ADVANCED FUNCTIONAL MATERIALS
·
2024
·
IF 18.5
Kangpeng Jin,Haonan Nie,Fengxian Gao,Jiang-Jiang Ma,Mingfang Shu,Xi Yan,Zhen-Hua Ge,Xiao Gao,Weiyun Zhao,Ming Liu,Yuan Yu,Jie Ma,Biao Xu,Liangwei Fu
Mg 3 (Sb,Bi) 2 alloys offer exceptional near-room temperature thermoelectric (TE) performance comparable to Bi 2 Te 3 . However, the low carrier mobility due to Mg vacancies and relatively high lattice thermal conductivity adversely affect overall TE performance. Herein, carrier mobility and thermal conductivity of Mg 3 (Sb,Bi) 2 are decoupled by modulating both the phase interface and grain boundaries through incorporating different sizes of iron (Fe). Ferromagnetic micrometer-sized Fe particles enhance the figure of merit ( ZT ) more than superparamagnetic nano-sized counterparts. Magnetic moments of Fe induce the charge density overlap near phase boundaries and ≈1 nm Fe interfacial layer lowers grain-boundary barriers, leading to sharply increased carrier mobility. Moreover, the additional magnon-phonon scattering reduces lattice thermal conductivity by over 40%. Consequently, Fe/Mg 3 (Sb,Bi) 2 composite achieves a high average ZT of 1.4 over room temperature to 573 K. The fabricated Mg 3 (Sb,Bi) 2 -CdSb module demonstrates a high conversion efficiency of 8.4% under a 275 K temperature gradient, among the best for Mg 3 (Sb,Bi) 2 -based modules. This work uncovers the role of thermo-electro-magnetic interactions in bolstering TE performance and inspires the development of low-cost, high-efficiency TE modules for low-grade heat recovery.
研究领域:
材料科学
·
物理学
·
能源科学
✓ 已验证
DOI
高影响因子
ACTA MATERIALIA
·
2025
·
IF 9.3
Ziming Zhang,Chen Ming,Qingfeng Song,Lei Wang,Hanbing Chen,Jincheng Liao,Chao Wang,Lidong Chen,Shengqiang Bai
Mg 3 (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 equilibrium diagrams. By in-situ constructing ZrSb 1- x second phase in the GB regions of Mg 3 (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 3.1 Sb 1.5 Bi 0.49 Te 0.01 and p-type Ge 0.89 Cu 0.06 Sb 0.08 Te 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 Mg 3 Sb 2 -based TE modules.
研究领域:
材料科学
·
热电材料
·
固态化学
·
计算材料学
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能源材料
✓ 已验证
产品关联
DOI
高影响因子
Advanced Science
·
2026
·
IF 14.1
Guangmeng You,Jingdan Lei,Kai Xu,Yuntian Fu,Xueke Gu,Chengxiao Peng,Zhen Wang,Jing Chen,Kunpeng Zhao,Chao Wang
Mg 3 (Sb,Bi) 2 has emerged as one of the most promising thermoelectric materials with the potential to complement commercial bismuth telluride. However, its performance is still hindered by pronounced carrier grain-boundary scattering, relatively high lattice thermal conductivity, and poor chemical stability. In this work, we reveal the multifaceted role of Ta in enhancing the thermoelectric performance of Mg 3 (Sb,Bi) 2 -based materials. The incorporation of Ta not only increases carrier concentration through the donor effect, but also boosts carrier mobility by promoting grain growth and reducing the potential barrier. Meanwhile, Ta point defects together with metallic Ta precipitates induce strong phonon scattering, leading to a substantial reduction in lattice thermal conductivity. These synergistic effects yield outstanding TE performance, with a remarkably high zT plateau of 1.8 between 573 and 723 K, surpassing the performance of most previously reported Mg 3 (Sb,Bi) 2 systems. Moreover, a TE module constructed by both p-type and n-type Zintl phases achieves a high conversion efficiency of 9.6% at ΔT of 460 K. This work takes an important step toward the practical application of Mg 3 Sb 2 -based TE materials and devices.
✓ 已验证
DOI
PubMed
高影响因子
Advanced Science
·
2026
·
IF 14.1
Jingdan Lei,Kai Xu,Kunpeng Zhao,Junzhuo Zhou,Haotian Gao,Yifan Yuan,Tian-Ran Wei,Min Zhu,Qihao Zhang,Franck Gascoin,Xun Shi
Thermoelectric Mg 3 (Sb, Bi) 2 has emerged as a rising star in virtue of its promising thermoelectric performance and abundant constituent elements. However, its practical application is hindered by challenges in synthesis and the strong coupling between electrical and thermal transport properties. Herein, we propose a dual-pronged strategy that combines grain boundary engineering and phonon engineering to decouple electron and phonon transport in Mg 3 (Sb, Bi) 2 . By employing a tantalum-tube encapsulated melting technique together with Cu doping, the grain size is markedly increased to ∼25 µm, effectively suppressing carrier grain boundary scattering and enabling single-crystal-like electrical transport with a high carrier mobility exceeding 200 cm 2 V −1 s −1 . Meanwhile, atomic-scale alloy disorder and nanoscale Mg 2 Cu precipitates introduce strong phonon scattering, leading to an ultralow lattice thermal conductivity of 0.36 W m −1 K −1 . Eventually, a peak zT of 1.9 at 750 K and a high conversion efficiency of 10.6% at ΔT = 488 K are achieved, demonstrating the competitive performance of these materials and devices. This study not only provides new insights into the manipulation of grain boundary scattering, but also demonstrates the great promise of Mg 3 (Sb, Bi) 2 for waste-heat harvesting.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
·
2026
·Vol. 46
·期 14
·118532
·
IF 6.3
Jingdan Lei,Xiaoyun Yang,Mengxiang Wu,Xiwei Zhang,Di Yuan,Huijuan Geng,Chong Han,Zhaoyang Han,Zhenjie Tang,Chao Wang
Mg 3 (Sb, Bi) 2 is a promising mid- to low- temperature thermoelectric material owing to its earth-abundant composition. However, its performance is limited by low intrinsic carrier concentration and the inherent trade-off among thermoelectric parameters. Herein, large-grain sized Mg 3.01 Sb 1.3 Bi 0.69 Te 0.01 Ho 0.07 are fabricated via melting method at 1423 K using a tantalum-sealing technique. A high peak zT of 1.6 at 700 K is realized, along with a peak power factor of 24 μW cm −1 K −2 and a low κ L of 0.41 W m −1 K −1 . The superior performance originates from synergistic manipulation of electron and phonon transport. Ho doping optimizes carrier concentration up to 7.2 × 10 19 cm −3 due to its small electronegativity difference with Mg, while the large grain ensures high carrier mobility. Simultaneously, atomic-scale alloy disorder suppresses phonon propagation, resulting in a substantial reduction in lattice thermal conductivity. This work highlights the great potential of synergistic transport engineering for high-performance Mg 3 (Sb, Bi) 2 -based thermoelectric materials.
✓ 已验证
DOI
高影响因子
Joule
·
2024
·
IF 38.6
Hailong Yang,Baohai Jia,Lin Xie,Dasha Mao,Junchao Xia,Jianmin Yang,Minhui Yuan,Quan Gan,Xusheng Liu,Mingyuan Hu,Jing Shuai,Jiaqing He
Beyond phonon transport, non-propagating transport is also crucial for crystals to achieve ultra-low lattice thermal conductivity (κ L ) approaching the amorphous limitation. In our study, the demonstrated enhancement of phonon localization proves instrumental in achieving ultra-low κ L , offering an understanding of the role of non-propagating transport. We experimentally verified this principle through a meticulously designed vapor-liquid-solid reaction in Mg 3 (Sb,Bi) 2 -based materials. A remarkably low κ L of 0.19 W/mK at room temperature was obtained. This marked a 77% reduction, compared with full-density counterparts, and was attributed to enhanced localization involved in high-frequency phonons. Moreover, we achieved a record zT value close to 1.2 at room temperature, along with the highest average zT value of 1.6 from 300 to 573 K among all n-type materials. These remarkable results align precisely with electron-phonon decoupling through strengthening phonon localization for materials design and application, which underscores the pivotal role in thermal transport.
研究领域:
材料科学
·
热电学
·
固体物理学
✓ 已验证
DOI
高影响因子
Advanced Science
·
2025
·Vol. 12
·期 27
·2502832
·
IF 14.1
Kai-Yu Yang,Xiaoyuan Li,Yuanxin Jiang,Liangliang Wang,Kai Guo,Lei Miao,Junliang Chen,Jiye Zhang,Lin Li,Yusong Du,Guang-Hui Rao,Jun Luo,Jing-Tai Zhao
Segmentation is a widely adopted strategy to enhance the efficiency of medium- and high-temperature thermoelectric devices by capitalizing on the distinct properties of materials across various temperature ranges. Establishing a highly compatible matching relationship is crucial for maximizing conversion efficiency. In this study, the concepts of materials’ compatibility factor and relative current density into the screening process are emphasized for universal adaptability. The effectiveness and practicality of the theoretical model for optimal segmented combinations are validated through COMSOL finite element simulations and experimental results. A segmented thermoelectric power generation device is constructed that integrates the environmentally friendly n-type Mg 3 (Sb,Bi) 2 with the optimal segmented pairing of Bi 0.5 Sb 1.5 Te 3 -GeTe. Notably, at a temperature difference of Δ T = 440 K, this device achieves a maximum conversion efficiency of 10.4% and a peak output power of 0.41 W. These findings provide a solid theoretical foundation for the development of efficient combinations of thermoelectric materials.
研究领域:
材料科学
·
能源工程
·
热电学
·
器件优化
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ACS Applied Materials & Interfaces
·
2024
·
IF 8.3
Lifeng Jiang,Shuyue Tan,Rongchun Chen,Jingwei Xian,Hongrui Li,Donghu Zhou,Huijun Kang,Zongning Chen,Enyu Guo,Tongmin Wang
Grain boundary (GB) engineering includes grain size and GB segregation. Grain size has been proven to affect the electrical properties of Mg3(Sb, Bi)2 at low temperatures. However, the formation mechanism of GB segregation and what kind of GB segregation is beneficial to the performance are still unclear. Here, the Ga/Bi cosegregation at GBs and Mg segregation within grains optimize the transport of electrons and phonons simultaneously. Ga/Bi cosegregation promotes the formation of Janus-like structures due to the diverse ordering tendencies of liquid Mg3Sb2 and Mg3Bi2 and the absence of a solid solution of Ga/Bi. The Janus-like structure significantly reduces the room-temperature lattice thermal conductivity by introducing diverse microdefects. Meanwhile, a coherent interface between the nano Mg segregation region and the matrix is formed, which reduces the thermal conductivity without affecting the carrier transport. Furthermore, the band structure calculations show that Ga doping introduces the resonance level, increasing the Seebeck coefficient. Finally, the lattice thermal conductivity reaches ∼0.4 W m–1 K–1, and a high average ZT of 1.21 between 323 and ∼773 K is achieved for Mg3.2Y0.02Ga0.03Sb1.5Bi0.5. This work provides guidance for improving the thermoelectric performance via designing cosegregation.
研究领域:
材料科学
·
热电材料
✓ 已验证
DOI
高影响因子
Materials Today Physics
·
2025
·
IF 9.7
Jisheng Liang,Qi Zhou,Zhengniu Pan,Zhongwei Zhang,Fengting Mao,Shiyuan Zhao,Sijing Zhu,Jun-liang Chen,Jie Gao,Lei Miao
N-type Mg 3 (Sb,Bi) 2 Zintl compounds have emerged as promising candidates for high-temperature energy applications due to their exceptional thermoelectric performance, making them pivotal in the development of sustainable energy technologies. Despite recent advancements, these materials suffer from low carrier mobility caused by polar covalent bonds , which degrade electrical conductivity and overall thermoelectric efficiency. In this study, we introduce beryllium , a bivalent homologous group element, as a cationic dopant to substitute for Mg in Mg 3.2 Sb 1.5 Bi 0.49 Te 0.01 . This substitution weakens the polarity of the chemical bonds, significantly enhancing carrier mobility from ∼62 to ∼138 cm 2 V −1 s −1 . Theoretical analysis using the single parabolic band model confirms that the effective mass decreases with increasing Be doping content. First-principles calculations further reveal that Be doping leads to stronger charge localization due to their higher electronegativity and shifts the Fermi level into the conduction band and narrows the band gap, strengthening the n-type semiconducting properties. This optimization yields an impressive power factor of ∼2022 μW m −1 K −2 at 523 K in Mg 3.12 Be 0.08 Sb 1.5 Bi 0.49 Te 0.01 , owing to the improved carrier mobility . Furthermore, the Be atoms as point defects induces significant lattice distortions and strains, effectively suppressing lattice thermal conductivity to ∼0.38 W m −1 K −1 at 573 K. Consequently, we achieve a remarkable ZT of 1.54 at 673 K and a high average ZT of 1.17 in n-type Mg 3.14 Be 0.06 Sb 1.5 Bi 0.49 Te 0.01 . Our work offers new strategies to enhance the thermoelectric properties of n-type Mg 3 (Sb,Bi) 2 materials, advancing high-temperature sustainable energy technologies.
研究领域:
材料科学
·
热电材料
·
固态化学
·
能源材料
·
半导体物理
✓ 已验证
产品关联
DOI
高影响因子
Small
·
2025
·
IF 12.1
Jie Huang,Kangpeng Jin,Chen Li,Hao Yang,Yiming Zhang,Xiyang Wang,Ming Huang,Zhen-Hua Ge,Liangwei Fu
Maximizing the average figure-of-merit ( ZT avg ) of thermoelectric (TE) materials is crucial for optimizing the module performance. Herein, this work enhances the ZT avg to 1.42 (298–673 K) in a n-type Mg 3 (Sb, Bi) 2 -based material by a stepwise optimization strategy. Specifically, Cr injects electron into Mg 3 Sb 0.8 Bi 1.19 Te 0.01 , which synergistically boosts carrier concentration and forms an electron accumulation layer at the interface. Meanwhile, lattice softening and interfacial scattering suppress lattice thermal conductivity. A peak ZT of 1.72 at 673 K and ZT avg of 1.30 over 298–673 K are achieved for Mg 3 Sb 0.8 Bi 1.19 Te 0.01 –1.5 wt.% Cr. Then, through grain refinement and Se doping instead of Te, a delicate equipoise is reached between the power factor and the electronic thermal conductivity. Eventually, the Mg 3 Sb 0.8 Bi 1.19 Se 0.01 –1.5 wt.% Cr sample obtains an outstanding ZT of ≈1.9 at 573 K and ZT avg of 1.42 over 298–673 K. The integrated two-pair full-Zintl YbZn 2 Sb 2 /Mg 3 (Sb, Bi) 2 module achieves a high conversion efficiency of 10.5% and power density of 0.37 W cm −2 simultaneously under a temperature difference of 370 K. More importantly, this module exhibits excellent thermal stability during a 10-day in situ test. This work provides new ideas for applications of full-Zintl modules to the recovery of waste heat.
研究领域:
材料科学
·
热电学
·
能量转换
·
固体物理
·
可持续能源
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）