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
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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
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热电材料
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固态化学
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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
APPLIED ORGANOMETALLIC CHEMISTRY
·
2024
·Vol. 38
·期 12
·e7696
·
IF 3.7
Xueze Wang,Huawei Zhou,Xianxi Zhang
Bi-based organic halides have attracted widespread attention as potential substitutes for lead-based organic halide perovskites and have been explored and applied in many optoelectronic devices. The rational design of organic Bi-based halides is a popular research topic. In this work, we used benzylammonium (BA) cations to synthesize BA 3 Bi 2 I 9 (BBI) perovskite material and FA 3 Bi 2 I 9 (FBI, FA [formamidinium]) as control. We observe that the benzene rings in BA cations overlap with each other due to the benzene rings Π-Π conjugation in the crystal structure of BBI, which exhibits large interplanar spacing due to large BA ions. BBI has preferential orientation along the (020) crystal plane. Due to conjugation, scanning electron microscopy (SEM) and energy dispersive spectrometer (EDS) mapping images indicate that the surface of the BBI thin film is smoother and more uniform than that of the FBI thin film. We fabricated the device by growing thin films of BBI and FBI on ITO interdigital electrodes. The photodetector based on BBI SC exhibits stability and regularity with turning on/off of the light at different intensities (10, 20, 30, and 40 W m −2 ) and wavelengths (386, 397, 405, and 433 nm). The ultraviolet–visible (UV–vis) absorption and reflection spectrum analysis shows that BBI has a slightly wider bandgap than FBI. This study can provide some ideas for the design Π-Π conjugation in organic metal halides.
研究领域:
材料科学
·
光电学
·
化学
·
物理学
✓ 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
ACTA MATERIALIA
·
2026
·
IF 10.7
Zhengniu Pan,Sijing Zhu,Yi Wang,Zhen Fan,Jisheng Liang,Shiyuan Zhao,Jun-Liang Chen,Zhongwei Zhang,Zhixiang Zhang,Qi Zhou,Jie Gao,Huaizhou Zhao,Lei Miao
The n-type Mg 3+δ (Sb,Bi) 2 ‐based system has recently emerged as a breakthrough class of thermoelectric (TE) materials, drawing considerable interest for its eco‐friendly composition and potential to replace conventional commercial counterparts. However, the precise regulation of grain boundaries in Mg-based materials—akin to wielding an accurate scalpel—so as to extremely optimize thermoelectric performance and device properties remains ill-defined. In this study, the incorporation of Ga into the Mg 3 (Sb,Bi) 2 matrix via high‐energy ball milling (HBM) and spark plasma sintering (SPS) yielded an ultralow lattice thermal conductivity of 0.41 W m -1 K -1 at 300 K, a superior figure of merit ( ZT ) exceeding 1.84 at 673 K, and a high average ZT ( ZT avg ) of 1.55 across 300—773 K. The lattice thermal conductivity of Ga‐modified Mg 3+δ (Sb,Bi) 2 is markedly reduced over the entire temperature range, primarily due to the enhanced Kapitza thermal resistivity (ρ Kapitza ) resulting from the introduction of a liquid‐like phase at grain boundaries (GBs), which strengthens phonon scattering. while, Ohmic-like metal–semiconductor junctions form at the interfaces between the Ga/Bi secondary phases and the Mg 3+δ (Sb,Bi) 2 matrix lead to superior power factor. The high performance of Ga‐Mg 3+δ (Sb,Bi) 2 enabled a two‐pair module based on Mg 3.2 Ga 0.04 Sb 1.5 Bi 0.49 Te 0.01 / MgAgSb to achieve a conversion efficiency ( η ) of ∼6.0% at ΔT = 300 K. As a result, this work demonstrates significant theoretical and practical value in areas such as thermal management and thermoelectric material design.
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产品关联
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
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DOI
高影响因子
CATALYSIS LETTERS
·
2020
·Vol. 151
·期 3
·901-908
·
IF 2.482
Wu Yuting,Yang Long,Wu Bo,Li Jie,Liu Binyao,Ke Gaili,Dong Faqin,Zhou Yong,He Huichao
It has been reported that β -MnO 2 has photocatalytic activity for the oxidative-coupling of 2-naphthols into 1,1′-bi-2-naphthols. Nevertheless, it is hard to exclude the possibility that the oxidative-coupling of 2-naphthols is initiated by β -MnO 2 catalysis in dark due to the insufficient investigations in the related reports. In the present work, the oxidative-coupling of 2-naphthols into 1,1′-bi-2-naphthols with different phases MnO 2 catalysis in dark and under visible-light irradiation were systematically investigated. The results revealed that the oxidative-coupling of 2-naphthols is jointly initiated by MnO 2 catalysis and O 2 -oxidation, not by MnO 2 photocatalysis. Among the α -MnO 2 , β -MnO 2 , γ -MnO 2 and δ -MnO 2 catalysis, β -MnO 2 catalysis has the optimal performance, its selectivity for the oxidative-coupling of 2-naphthols into 1,1′-bi-2-naphthols is close to 100%, and its catalytic capacity could be well retained after multiple using. Our findings provide comprehensive and accurate understanding the catalytic role of MnO 2 for the oxidative-coupling of 2-naphthols into 1,1′-bi-2-naphthols. Graphic In the present work, the oxidative-coupling of 2-naphthols into 1,1′-bi-2-naphthols was proved to be jointly initiated by MnO 2 catalysis and O 2 -oxidation, not by MnO 2 photocatalysis. β -MnO 2 has the optimal catalytic activity for the oxidative-coupling of 2-naphthols relative to α -MnO 2 , γ -MnO 2 and δ -MnO 2 .
研究领域:
催化化学
·
有机合成
·
材料化学
·
物理化学
·
纳米催化
✓ 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
危险品化学品经营许可证（带存储）