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RESEARCH PAPER · Nature Communications · 2023

Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi

Wuyang Ren, Wenhua Xue, Shuping Guo, Ran He, Liangzi Deng, Shaowei Song, A. V. Sotnikov, Kornelius Nielsch, Jeroen van den Brink, Guanhui Gao, Shuo Chen, Yimo Han, Jiang Wu, C. W. Chu, Zhiming M. Wang, Yumei Wang, Zhifeng Ren

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Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBiOriginalRole of volume change on the physics of thermoelectric half-Heusler compounds9Effect of vacancies on the electronic and magnetic properties of Heusler compound Mn2CoAl3High-entropy materials for thermoelectric applications: towards performance and reliability28Revealing the phonon properties for thermoelectric materials by neutron scattering9Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics64Enhancing Thermoelectric Performance of n-Type Bi 2 Te 2.7 Se 0.3 through Incorporation of Amorphous Si 3 N 4 Nanoparticles10Defect Engineering Advances Thermoelectric Materials155Vacancy-induced pseudogap formation in antiferromagnetic Cr 0.86 ZnSb2Magneto‐Optical Control of Ordering Kinetics and Vacancy Behavior in Fe–Al Thin Films Quenched by Laser2Discovery of (Sc,V)CoSb double half-Heusler alloys with low lattice thermal conductivity9The Single-Phase Composition and Thermoelectric Performance of Defective Half-Heusler Ti1- X Nisb Prepared by Levitation Melting0Unconventional Solvent‐Doping‐Induced Ultrahigh Carrier Mobility Leads to Excellent Thermoelectric Performance in Eco‐Friendly Bi 2 S 3 and SnS11Thermoelectric Power Generators and Their Applications0Stepwise Vacancy Manipulation for Optimized Carrier Concentration and Blocked Phonon Transport Realizing Record High Figure of Merit zT in CuInTe29Tunable Vacancy Order and Emergent Functionalities in Half‐Heusler Crystals14Stabilization of 19‐Electron Half‐Heuslers: Vacancy Filling as a Pathway Toward Robust Thermoelectric Semiconductors5Higher manganese silicide thermoelectrics1Drastic Modification in the Thermal Conductivity of the TiCoSb Half-Heusler Alloy: Phonon Engineering by Lattice Softening and Ionic Polarization7Tailoring Zr-vacancy induces superior thermoelectric performance of Hf-free ZrCoSb-based half-Heusler compounds15Theoretical prediction of electronic and thermal transport properties of the double half-Heusler compounds X 2 FeNiSn 2 ( X = Ta , Nb , V )6Machine Learning Force Field Predictions of Structural and Dynamical Properties in HOPG Defects and the HOPG-Water Interface with Electronic Structure Analysis2High-performance ZrNiSn-based half-Heusler thermoelectrics with hierarchical architectures enabled by reactive sintering36Half-Heusler compounds and devices for mid-high temperature thermoelectric applications5Toward Efficient Thermoelectric Materials and Devices: Advances, Challenges, and Opportunities259Anomalous Phase Change in SbSe x Memristors for Ultrafast Image Encryption27The single-phase composition and thermoelectric performance of defective half-Heusler Ti1-NiSb prepared by levitation melting1High ZT and low lattice thermal conductivity in defective half-Heusler Zr 0.75 PtSb 1 − x Bi x alloys: promising for mid- and high-temperature thermoelectric applications2Balancing the Competing Effects of Carrier and Phonon Transport Mechanisms to Enhance the Thermoelectric Properties of p‐Type T i 2 Z r 2− x H f 2 N b 2 F e 5.6 N i 2.4 S b 8 Double Half‐Heusler Alloys via Cation Vacancy Engineering0Strategies to Suppress Thermal Conductivity in Half-Heusler Compounds for Thermoelectric Applications: A Comprehensive Review8Leveraging carrier mobility enables high-performance Mg3(Sb, Bi)2 thermoelectrics12Recent advances and challenges in thermoelectrics toward near-room-temperature and high-temperature applications20Continuous Alloying between Rocksalt and Half-Heusler Structures Drives Metal–Semiconductor Transition in ErNi x Sb0Cu-based thermoelectrics: Frontiers, challenges, and prospects11Linking local defect structure, microstructure, and thermoelectric transport in TiNiSn alloys under different processing conditions0Structural Disorder Engineered Thermoelectric Materials11Local structure design enables high-performance Hf-free ZrNiSn-based half-Heusler thermoelectric alloys1Introducing multi-scale scattering centers into NbCoSb half-Heusler alloys via vacancy engineering to achieve high-performance thermoelectric properties1Synthesis and thermoelectric properties of rare-earth-based half-Heusler compounds with large enthalpy of formation0Brightening of localized exciton with strong phonon coupling in ferromagnetic CrBr30

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  1. Role of volume change on the physics of thermoelectric half-Heusler compounds

    Physical Review Materials · 2023-10-25

    M. Yazdani-Kachoei, Shaohan Li, Weiwei Sun, S. Mehdi Vaez Allaei, Igor Di Marco

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  2. Effect of vacancies on the electronic and magnetic properties of Heusler compound Mn2CoAl

    AIP Advances · 2024-01-01

    Zipporah Wanjiku Muthui

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  3. High-entropy materials for thermoelectric applications: towards performance and reliability

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    Nouredine Oueldna, Noha Sabi, Hasna Aziam, Vera Trabadelo, Hicham Ben Youcef

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  4. Revealing the phonon properties for thermoelectric materials by neutron scattering

    The Innovation Energy · 2024-01-01

    Jinfeng Zhu, Xiaoling Shen, Jingxuan Ding, Jie Ma

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  5. Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics

    Nature Communications · 2024-03-23

    Jinfeng Zhu, Qingyong Ren, Chen Chen, Chen Wang, Mingfang Shu, Miao He, Cuiping Zhang, Manh Duc Le, Shuki Torri, Chin‐Wei Wang, Jianli Wang, Zhenxiang Cheng, Lisi Li, Guohua Wang, Yuxuan Jiang, Mingzai Wu, Zhe Qu, Xin Tong, Yue Chen, Qian Zhang, Jie Ma

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  6. Enhancing Thermoelectric Performance of n-Type Bi 2 Te 2.7 Se 0.3 through Incorporation of Amorphous Si 3 N 4 Nanoparticles

    ACS Applied Materials & Interfaces · 2024-04-22

    Tao Chen, Shujin Li, Ke Chen, Mazhar Hussain Danish, Hui Liu, Di Li, Hongxing Xin, Yongsheng Zhang, Jian Zhang, Xiaoying Qin

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  7. Defect Engineering Advances Thermoelectric Materials

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    Chunlu Wu, Xiao‐Lei Shi, Lijun Wang, Wanyu Lyu, Pei Yuan, Lina Cheng, Zhi‐Gang Chen, Xiangdong Yao

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  8. Vacancy-induced pseudogap formation in antiferromagnetic Cr 0.86 ZnSb

    Physical review. B./Physical review. B · 2024-11-08

    Michael Parzer, Fabian Garmroudi, H. Michor, Xinlin Yan, Ernst Bauer, Gerda Rogl, Jiri Bursik, Stephen P. Cottrell, R. Podloucky, Peter Franz Rogl

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  9. Magneto‐Optical Control of Ordering Kinetics and Vacancy Behavior in Fe–Al Thin Films Quenched by Laser

    Advanced Engineering Materials · 2024-11-14

    Igor Yu. Pashen’kin, Dmitry A. Tatarskiy, Sergey A. Churin, Andrey N. Nechay, Mikhail Nikolaevich Drozdov, Maksim V. Sapozhnikov, N. I. Polushkin

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  10. Discovery of (Sc,V)CoSb double half-Heusler alloys with low lattice thermal conductivity

    Journal of Alloys and Compounds · 2024-12-12

    Xin Liu, Shaoqin Wang, Zirui Dong, Yi Chang, Jiye Zhang, Xinyue Zhang, Jun Luo

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  11. The Single-Phase Composition and Thermoelectric Performance of Defective Half-Heusler Ti1- X Nisb Prepared by Levitation Melting

    SSRN Electronic Journal · 2025-01-01

    Mengmeng Xiao, Qingying Wang, Yuanjie Qie, Sheng Qian, Han Shen, Chenguang Fu, Teng Fang, Tiejun Zhu

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  12. Unconventional Solvent‐Doping‐Induced Ultrahigh Carrier Mobility Leads to Excellent Thermoelectric Performance in Eco‐Friendly Bi 2 S 3 and SnS

    Advanced Energy Materials · 2025-01-19

    Fanshi Wu, Yifan Shi, Xiaoqing Huang, Zhengchong Chen, Hongjun Zhang, Xiyang Wang, Ming Xin Huang, Liangwei Fu, Yue Lou, Biao Xu

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  13. Thermoelectric Power Generators and Their Applications

    Unknown journal · 2025-02-07

    Jianxu Shi, Ke Wang

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  14. Stepwise Vacancy Manipulation for Optimized Carrier Concentration and Blocked Phonon Transport Realizing Record High Figure of Merit zT in CuInTe2

    Advanced Functional Materials · 2025-03-11

    Tingdong Zhang, Suiting Ning, Tingting Zhang, Ning Qi, Xianli Su, Xinfeng Tang, Zhiquan Chen

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  15. Tunable Vacancy Order and Emergent Functionalities in Half‐Heusler Crystals

    Advanced Materials · 2025-03-27

    Ziheng Gao, Zhongkang Han, Yue Zhang, Chenguang Fu, Kaiyang Xia, Yujing Zhang, Mingyuan Piao, Mengzhao Chen, Shen Han, Airan Li, Xiaojuan Hu, Pengfei Nan, Jiawei Zhang, Xuezhang Xiao, Binghui Ge, Tiejun Zhu

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  16. Stabilization of 19‐Electron Half‐Heuslers: Vacancy Filling as a Pathway Toward Robust Thermoelectric Semiconductors

    Small · 2025-05-16

    Xin Liu, Yi Chen, Qizhu Li, Zirui Dong, Binghui Ge, Yubo Zhang, Jiye Zhang, Jun Luo

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  17. Higher manganese silicide thermoelectrics

    Review of Materials Research · 2025-06-01

    Guangshu Li, Zhirou Zhang, Quanwei Jiang, Rongchun Chen, Huijun Kang, Zongning Chen, Enyu Guo, Tongmin Wang

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  18. Drastic Modification in the Thermal Conductivity of the TiCoSb Half-Heusler Alloy: Phonon Engineering by Lattice Softening and Ionic Polarization

    ACS Applied Energy Materials · 2025-06-03

    Suman Mahakal, Avijit Jana, Diptasikha Das, Nabakumar Rana, Pallabi Sardar, Shamima Hussain, Santanu K. Maiti, K. Malik

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  19. Tailoring Zr-vacancy induces superior thermoelectric performance of Hf-free ZrCoSb-based half-Heusler compounds

    Nano Energy · 2025-06-05

    Shuyue Tan, Lifeng Jiang, Saichao Cao, Donghu Zhou, Hongrui Li, Huijun Kang, Rongchun Chen, Zongning Chen, Enyu Guo, Pengfei Yu, Mingxu Xia, Tongmin Wang

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  20. Theoretical prediction of electronic and thermal transport properties of the double half-Heusler compounds X 2 FeNiSn 2 ( X = Ta , Nb , V )

    Physical review. B./Physical review. B · 2025-06-06

    Enes İbrahim Düden, Tuğbey Kocabaş, Tanju Gürel, Servet Turan, Cem Sevik

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  21. Machine Learning Force Field Predictions of Structural and Dynamical Properties in HOPG Defects and the HOPG-Water Interface with Electronic Structure Analysis

    ACS Omega · 2025-06-10

    Mary T. Ajide, Parisa Naeiji, Joaquín Klug, Niall J. English

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  22. High-performance ZrNiSn-based half-Heusler thermoelectrics with hierarchical architectures enabled by reactive sintering

    Nature Communications · 2025-07-15

    Xin Ai, Yu Wu, Haiyan Lyu, Lars Giebeler, Wenhua Xue, A. V. Sotnikov, Yumei Wang, Qihao Zhang, Denys Makarov, Yuan Yu, Gerald Jeffrey Snyder, Kornelius Nielsch, Ran He

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  23. Half-Heusler compounds and devices for mid-high temperature thermoelectric applications

    MRS Bulletin · 2025-07-25

    Lankun Wang, Li Yin, Xiaojing Ma, Qian Zhang, Jiehe Sui, Zihang Liu

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  24. Toward Efficient Thermoelectric Materials and Devices: Advances, Challenges, and Opportunities

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  25. Anomalous Phase Change in SbSe x Memristors for Ultrafast Image Encryption

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  26. The single-phase composition and thermoelectric performance of defective half-Heusler Ti1-NiSb prepared by levitation melting

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  27. High ZT and low lattice thermal conductivity in defective half-Heusler Zr 0.75 PtSb 1 − x Bi x alloys: promising for mid- and high-temperature thermoelectric applications

    Journal of Physics Condensed Matter · 2025-10-16

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  28. Balancing the Competing Effects of Carrier and Phonon Transport Mechanisms to Enhance the Thermoelectric Properties of p‐Type T i 2 Z r 2− x H f 2 N b 2 F e 5.6 N i 2.4 S b 8 Double Half‐Heusler Alloys via Cation Vacancy Engineering

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    Chaoyue Wang, Mina Zhang, Longjun He, Shengpan Kan, Ruyan Song, Degang Zhao, Jinghao Li, Daoyong Cong, Xianglin Zhou

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  29. Strategies to Suppress Thermal Conductivity in Half-Heusler Compounds for Thermoelectric Applications: A Comprehensive Review

    ACS Applied Energy Materials · 2025-10-28

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  30. Leveraging carrier mobility enables high-performance Mg3(Sb, Bi)2 thermoelectrics

    National Science Review · 2025-11-16

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  31. Recent advances and challenges in thermoelectrics toward near-room-temperature and high-temperature applications

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  32. Continuous Alloying between Rocksalt and Half-Heusler Structures Drives Metal–Semiconductor Transition in ErNi x Sb

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  33. Cu-based thermoelectrics: Frontiers, challenges, and prospects

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  34. Linking local defect structure, microstructure, and thermoelectric transport in TiNiSn alloys under different processing conditions

    Journal of Alloys and Compounds · 2026-04-01

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  35. Structural Disorder Engineered Thermoelectric Materials

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  36. Local structure design enables high-performance Hf-free ZrNiSn-based half-Heusler thermoelectric alloys

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  37. Introducing multi-scale scattering centers into NbCoSb half-Heusler alloys via vacancy engineering to achieve high-performance thermoelectric properties

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  38. Synthesis and thermoelectric properties of rare-earth-based half-Heusler compounds with large enthalpy of formation

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  39. Brightening of localized exciton with strong phonon coupling in ferromagnetic CrBr3

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