The manipulation of substitutional defects for realizing high thermoelectric performance in Mg3Sb2-based Zintl compounds

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Advances and challenges for Mg3(Sb,Bi)2-based thermoelectric materials and devices

Yu Yan, Wen Zhang, Huijun Kang, Zongning Chen, Enyu Guo, Rongchun Chen and Tongmin Wang

J. Mater. Chem. A, 2026, 14, 9065
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Graphene-assisted synergistic electronic DOS modulation and phonon scattering to improve the thermoelectric performance of Mg3Sb2-based materials

Qiang Zhang, Jiadang Li, Nagendra S. Chauhan, Lifei Wang, Zhicheng Huang, Wenhao Fan, Kei Hayashi, Shaoping Chen, Jianfeng Fan and Yuzuru Miyazaki

J. Mater. Chem. A, 2023, 11, 18811
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Understanding the influence of Bi/Sb substitution on carrier concentration in Mg3Sb2-based materials: decreasing bandgap enhances the degree of impurity ionization

Juan Li, Fei Jia, Kai Han, Bing Sun, Lianzhen Cao, Yingde Li and Shuai Zhang

Phys. Chem. Chem. Phys., 2022, 24, 27812
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Large improvement in thermoelectric performance of pressure-tuned Mg3Sb2

Juan Li, Shuai Zhang, Kai Han, Bing Sun and Lianzhen Cao

RSC Adv., 2022, 12, 1149
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Unraveling the lattice thermal conductivity and thermoelectric properties of monolayer Mg3Bi2

Yingying Chen, Zheng Ma, Na Zhao, Yajun Li, Xi Yao and Xilong Dou

Phys. Chem. Chem. Phys., 2025, 27, 12919
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Enhanced thermoelectric performance in n-type Mg3.2Sb1.5Bi0.5 doping with lanthanides at the Mg site

Lu Yu, Zipei Zhang, Juan Li, Wenhao Li, Shikai Wei, Sitong Wei, Guiwu Lu, Weiyu Song and Shuqi Zheng

Journal of Materials Science & Technology, 2022, 127, 108
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Synergistic optimization of electrical and thermal transport in Mg3+δ(Sb, Bi)2 through Ga-modified grain boundaries

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 and Lei Miao

Acta Materialia, 2026, 310, 122143
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Mg3(Sb,Bi)2-based materials and devices rivaling bismuth telluride for thermoelectric power generation and cooling

Sahiba Bano, Raju Chetty, Jayachandran Babu and Takao Mori

Device, 2024, 2, 100408
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Mechanical Compatibility between Mg3(Sb,Bi)2 and MgAgSb in Thermoelectric Modules

Yifan Sun, Jiahui Fu, Yuji Ohishi, Keita Toh, Koichiro Suekuni, Kunihiro Kihou, Ushin Anazawa, Chul-Ho Lee and Ken Kurosaki

ACS Appl. Mater. Interfaces, 2023, 15, 23246
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The Electronic Transport Channel Protection and Tuning in Real Space to Boost the Thermoelectric Performance of Mg 3+ δ Sb 2- y Bi y near Room Temperature

Zhijia Han, Zhigang Gui, Y. B. Zhu, Peng Qin, Bo-Ping Zhang, Wenqing Zhang, Li Huang and Weishu Liu

Research, 2020, 2020
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High-Performance Mg 3 Sb 2- x Bi x Thermoelectrics: Progress and Perspective

Airan Li, Chenguang Fu, Xinbing Zhao and Tiejun Zhu

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Point defect engineering and machinability in n-type Mg3Sb2-based materials

Juan Li, Shuai Zhang, Fei Jia, Shuqi Zheng, Xiaolei Shi, Daqiang Jiang, Siyu Wang, Guiwu Lu, Liming Wu and Zhi-Gang Chen

Materials Today Physics, 2020, 15, 100269
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Room-temperature thermoelectric materials: Challenges and a new paradigm

Zhijia Han, Jing-Wei Li, Feng Jiang, Jiating Xia, Bo-Ping Zhang, Jing-Feng Li and Weishu Liu

Journal of Materiomics, 2022, 8, 427
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Band convergence boosted high thermoelectric performance of Zintl compound Mg3Sb2 achieved by biaxial strains

Suiting Ning, Shan Huang, Ziye Zhang, Ning Qi, Man Jiang, Zhiquan Chen and Xinfeng Tang

Journal of Materiomics, 2022, 8, 1086
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Thermoelectric properties of yttrium-doped Mg3(Sb,Bi)2 synthesized by melting method

K. Kihou, H. Kunioka, H. Nishiate and C.H. Lee

Journal of Materials Research and Technology, 2021, 10, 438
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Inorganic thermoelectric materials: A review

Md. Nazibul Hasan, Herman Wahid, Nafarizal Nayan and Mohamed Sultan Mohamed Ali

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Simultaneously Boosting Thermoelectric and Mechanical Properties of n-Type Mg3Sb1.5Bi0.5-Based Zintls through Energy-Band and Defect Engineering

Lu Yu, Xiao-Lei Shi, Yuanqing Mao, Wei-Di Liu, Zhen Ji, Sitong Wei, Zipei Zhang, Weiyu Song, Shuqi Zheng and Zhi-Gang Chen

ACS Nano, 2024, 18, 1678
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Extraordinary n‐Type Mg3SbBi Thermoelectrics Enabled by Yttrium Doping

Xuemin Shi, Tingting Zhao, Xinyue Zhang, Cheng Sun, Zhiwei Chen, Siqi Lin, Wen Li, Hui Gu and Yanzhong Pei

Advanced Materials, 2019, 31
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Enhancing thermoelectric performance of BaMg2-based compounds by forming solid solutions and biaxial strain

Jiaxi Wang, Jia Li, Yafan Wang, Fuli He, Qian Zhang, Guang Wang, Yuming Jin and Fuxing Yin

J. Phys. D: Appl. Phys., 2021, 54, 485301
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Ultrafast Combustion Synthesis and High Thermoelectric Performance of Mg3Sb2-xBix-Based Compounds

Xi Peng, Jinxing Guo, Xianli Su, Jinsong Wu, Qingjie Zhang and Xinfeng Tang

ACS Appl. Energy Mater., 2024, 7, 2552
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Thermoelectric transport of strained CsK2Sb : Role of electron velocities and scattering within extended Fermi surfaces

Øven A. Grimenes, G. Jeffrey Snyder, Ole M. Løvvik and Kristian Berland

Phys. Rev. B, 2025, 111
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Influence of N-type doping sites on electronic transport properties of Mg3Sb1.5Bi0.5 alloys

Xin Li, Bin Yang, Hui Xie, Hong Zhong, Songke Feng, Yalong Zhang, Ying Ma, Juntao Zhang and Hengjie Su

Materials Science and Engineering: B, 2023, 293, 116463
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Layered thermoelectric materials: Structure, bonding, and performance mechanisms

Zhou Li, Chong Xiao and Yi Xie

Applied Physics Reviews, 2022, 9
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N-Type Mg3Sb2 (Bi, Te) Alloy Preparation and its Thermoelectric Performance Enhancement

Younas Iqbal, Chao Wang, Sajjad Hussain, Jianli Wang, Mohammad Abohashrh, Imtiaz Ahmad, Asim Shahzad, Muhammad Adil, Sami Ullah, Lanwei Li and Shuyao Li

J. of Materi Eng and Perform, 2026, 35, 2466
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The Importance of Mg–Sb Interactions in Achieving High Conduction Band Degeneracy in Mg3Sb2 for High n-Type Thermoelectric Performance

Madison K. Brod, Shashwat Anand and G. Jeffrey Snyder

Materials Today Physics, 2023, 31, 100959
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High-performance magnesium-based thermoelectric materials: Progress and challenges

Zizhen Zhou, Guang Han, Xu Lu, Guoyu Wang and Xiaoyuan Zhou

Journal of Magnesium and Alloys, 2022, 10, 1719
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Realizing high phonon anharmonicity in layered Mg3Sb2 : A temperature-dependent optical phonon study

Minati Tiadi, Dillip K. Satapathy and Manjusha Battabyal

Phys. Rev. B, 2024, 109
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Energy band convergence improves thermoelectric properties of p-type YbMg2Sb2-based materials by solution alloying and biaxial strain

Zhen Ji, Zhibo Wei, Lu Yu, Sitong Wei, Zipei Zhang, Sitong Luo, Huihui Ding, Xinyue Yang, Weiyu Song and Shuqi Zheng

Applied Materials Today, 2024, 36, 102075
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First-Principles Study on Thermodynamic Stability, Mechanical Properties, and Low Lattice Thermal Conductivity of Mg-Zn-Y and Mg-Al-Y Alloys with Long-Period Stacking Ordered (Lpso) Structures

Yingying Chen, Aijie Mao, Xilong Dou and Enci Zuo

SSRN Journal, 2022
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Electronic, mechanical, and thermoelectric properties of Mg3Bi2-based materials by rare earth elements doping

Shaorong Li, Tongtong Tian, Ruping Zhang, You Xie, Huaze Zhu, Lin Zhang, Chuhan Cao, Huan Wu, Wenzhi Shen and Shengqiang Ma

Appl. Phys. A, 2026, 132
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Metallic n‐Type Mg3Sb2 Single Crystals Demonstrate the Absence of Ionized Impurity Scattering and Enhanced Thermoelectric Performance

Kazuki Imasato, Chenguang Fu, Yu Pan, Max Wood, Jimmy Jiahong Kuo, Claudia Felser and G. Jeffrey Snyder

Advanced Materials, 2020, 32
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Theoretical Study on Thermoelectric Performance of N‐Type Mg3(Sb,Bi)2 Single Crystal for Cooling or Power Generation

Juan Li, Shuai Zhang, Shuqi Zheng, Kai Han, Bing Sun, Zuozhang Bi and Xinle Wang

Advcd Theory and Sims, 2022, 5
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Exceptional thermoelectric properties in Na2TlSb enabled by quasi-one-dimensional band structure

Øven A. Grimenes, Ole M. Løvvik and Kristian Berland

Phys. Rev. B, 2026, 113
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Defect Chemistry for N-Type Doping of Mg3Sb2-Based Thermoelectric Materials

Juan Li, Shuai Zhang, Shuqi Zheng, Zipei Zhang, Boyi Wang, Liqiang Chen and Guiwu Lu

J. Phys. Chem. C, 2019, 123, 20781
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Achieving band convergence by tuning the bonding ionicity in n‐type Mg3Sb2

Xin Sun, Xin Li, Jiong Yang, Jinyang Xi, Ryky Nelson, Christina Ertural, Richard Dronskowski, Weishu Liu, Gerald J. Snyder, David J. Singh and Wenqing Zhang

J Comput Chem, 2019, 40, 1693
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Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment

Jiawei Zhang, Lirong Song and Bo Brummerstedt Iversen

npj Comput Mater, 2019, 5
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Fermi surface complexity, effective mass, and conduction band alignment in n-type thermoelectric Mg3Sb2 – xBix from first principles calculations

Jiawei Zhang and Bo Brummerstedt Iversen

Journal of Applied Physics, 2019, 126
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First-principles investigation of mechanical properties, elastic anisotropy, and ultralow lattice thermal conductivities of ductile Mg–Bi alloys

Yingying Chen, Enci Zuo, Xilong Dou, Li Chen, Gang Jiang and Aijie Mao

Vacuum, 2022, 206, 111535
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Effects of Bi Alloying on the Thermoelectric Properties of p‐Type Mg3Sb2‐xBix Solid Solutions

Bo Zhu, Xu Lu, Jiadang Li, Wenhao Xie, Lifei Wang, Qiang Zhang, Jianfeng Fan and Yun Zheng

ChemNanoMat, 2023, 9
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