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RESEARCH PAPER · Journal of Materials Chemistry A · 2022

Thermoelectric property enhancement by merging bands in NbFeSb-based half-Heusler mixtures

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Thermoelectric property enhancement by merging bands in NbFeSb-based half-Heusler mixturesOriginalSynergistic defect engineering for improving n-type NbFeSb thermoelectric performance through high-throughput computations10Trace Ag Doping at in Sites for Enhanced Thermoelectric Performance of Cuinte20A novel valence-balanced double half-Heusler Ti2Zr2Hf2NbVFe5Ni3Sb8 alloy by high entropy engineering14Theoretical Study of Lattice Thermal Conductivity of NbFeM (M = Sb, Bi) for Potential Thermoelectric Performance5Enhancing Thermoelectric Performance of CuInTe2 via Trace Ag Doping at Indium Sites14Bonding properties of Rubik's-cube-like Slater-Pauling Heusler semiconductors for thermoelectrics4Thermoelectric and Magnetic Properties of Biphasic ZrFe0.5Ni0.5Sb Double Half-Heusler and ZrNiSb Half-Heusler Induced by Co Doping13Enhancement of thermoelectric properties of Ag 2 Te semiconductors through In-doping induced resonant levels and multi-valley degeneracy7Strategies and Prospects for High-Performance Te-Free Thermoelectric Materials99eDoping: A high-throughput software package for evaluating point defect doping limits in semiconductor and insulator materials6Tailoring Zr-vacancy induces superior thermoelectric performance of Hf-free ZrCoSb-based half-Heusler compounds15Research progress on Mn-based and Co-based Full-Heusler alloys4Oxygen adsorption effects on geometries and electronics of thermoelectric PbTe surfaces4Role of Spin–Orbit Coupling in Modulating the Scattering Mechanisms and Transport Properties of NbFe-Based Half-Heusler Thermoelectric Materials5CuFeS2 nanocrystals for sustainable photocatalysis: A comprehensive review1Influence of point defects on thermal conductivity in TiFe x Ni 1 − x Sb alloys0Predicted low lattice thermal conductivity, high thermoelectric figure of merit, and mechanical and dynamical stability of HfPdSn1γ-SnSe: A new strong anharmonic material with low two-channel thermal conductivity0Strong Intra‐ and Interchain Orbital Coupling Leads To Multiband and High Thermoelectric Performance In Na 2 Au X ( X = P, As, Sb, and Bi)1From Electrons to Energy Conversion: A First‐Principles Study of NbYAl (Y = Ni, Pd, and Pt) Half‐Heusler Thermoelectrics0

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  1. Synergistic defect engineering for improving n-type NbFeSb thermoelectric performance through high-throughput computations

    Journal of Materials Chemistry A · 2022-01-01

    Jingyu Li, Jianbo Zhu, Zhuoyang Ti, Wenya Zhai, Liuming Wei, Chi Zhang, Pengfei Liu, Yongsheng Zhang

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  2. Trace Ag Doping at in Sites for Enhanced Thermoelectric Performance of Cuinte2

    SSRN Electronic Journal · 2023-01-01

    Erkuo Yang, Quanwei Jiang, Guangshu Li, Zhen Tian, Jianbo Li, Huijun Kang, Zongning Chen, Enyu Guo, T.M. Wang

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  3. A novel valence-balanced double half-Heusler Ti2Zr2Hf2NbVFe5Ni3Sb8 alloy by high entropy engineering

    Materials Today Physics · 2023-07-14

    Chaoyue Wang, Xianglin Zhou, Daoyong Cong, Guodong Tang, Jun Yang

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  4. Theoretical Study of Lattice Thermal Conductivity of NbFeM (M = Sb, Bi) for Potential Thermoelectric Performance

    ACS Applied Energy Materials · 2023-07-21

    Sonu Prasad Keshri, Sayan Paul, Arun Kumar Maurya, Tahir Hossain Sardar, Swapan Kumar Pati

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  5. Enhancing Thermoelectric Performance of CuInTe2 via Trace Ag Doping at Indium Sites

    ACS Applied Materials & Interfaces · 2023-10-12

    Erkuo Yang, Quanwei Jiang, Guangshu Li, Zhen Tian, Jianbo Li, Huijun Kang, Zongning Chen, Enyu Guo, Jun Wang, Tongmin Wang

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  6. Bonding properties of Rubik's-cube-like Slater-Pauling Heusler semiconductors for thermoelectrics

    Physical review. B./Physical review. B · 2023-11-15

    Zhuoyang Ti, Jianbo Zhu, Shuping Guo, Jingyu Li, Xiaobing Liu, Yongsheng Zhang

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  7. Thermoelectric and Magnetic Properties of Biphasic ZrFe0.5Ni0.5Sb Double Half-Heusler and ZrNiSb Half-Heusler Induced by Co Doping

    ACS Applied Electronic Materials · 2024-03-06

    Joseph Ngugi Kahiu, Samuel Kimani Kihoi, Hyunji Kim, Ho Seong Lee

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  8. Enhancement of thermoelectric properties of Ag 2 Te semiconductors through In-doping induced resonant levels and multi-valley degeneracy

    Journal of Materials Chemistry A · 2025-01-01

    Zhuoming Xia, Zhongtao Lu, Kailiang Fang, Chenyang Xiao, Xiaobin Feng, Bo Duan, Guodong Li, Pengcheng Zhai, Qingjie Zhang

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  9. Strategies and Prospects for High-Performance Te-Free Thermoelectric Materials

    Chemical Reviews · 2025-03-19

    Hongwei Ming, Zhong‐Zhen Luo, Zhigang Zou, Mercouri G. Kanatzidis

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  10. eDoping: A high-throughput software package for evaluating point defect doping limits in semiconductor and insulator materials

    Materials Today Physics · 2025-05-16

    Jianbo Zhu, Jingyu Li, Zhuoyang Ti, Lankun Wang, Yaoling Shen, Liuming Wei, Xiaobing Liu, Xin Chen, Pengfei Liu, Jiehe Sui, Yongsheng Zhang

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  11. 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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  12. Research progress on Mn-based and Co-based Full-Heusler alloys

    Solid State Sciences · 2025-07-15

    Hezhang Li, Hezhang Li, Md All Amin Newton, Chen Chen, Zhicheng Huang, Kei Hayashi, Yuzuru Miyazaki, Jing‐Feng Li, Chao Wang

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  13. Oxygen adsorption effects on geometries and electronics of thermoelectric PbTe surfaces

    Applied Surface Science · 2025-08-22

    Yaoling Shen, Zhuoyang Ti, Mi Qin, Xianlong Wang, Jingyu Li, Hairui Sun, Xiaobing Liu, Xin Chen, Yongsheng Zhang

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  14. Role of Spin–Orbit Coupling in Modulating the Scattering Mechanisms and Transport Properties of NbFe-Based Half-Heusler Thermoelectric Materials

    ACS Applied Energy Materials · 2025-09-18

    Shivalingam Goud Sara, A. Arya, Amrita Bhattacharya

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  15. CuFeS2 nanocrystals for sustainable photocatalysis: A comprehensive review

    Journal of Alloys and Compounds · 2025-10-01

    Mingwei Xu, Yujie Wu, Xiaozhuo Zhao, Jin Wang, Guocan Jiang, Sheng Li, Zhengquan Li

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  16. Influence of point defects on thermal conductivity in TiFe x Ni 1 − x Sb alloys

    Physical Review Materials · 2025-11-12

    Zhuoyang Ti, Jesús Carrete, Jingyu Li, Yongsheng Zhang, Georg K. H. Madsen

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  17. Predicted low lattice thermal conductivity, high thermoelectric figure of merit, and mechanical and dynamical stability of HfPdSn

    Functional Materials Letters · 2026-01-01

    Mansour Benidris

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  18. γ-SnSe: A new strong anharmonic material with low two-channel thermal conductivity

    Materials Science in Semiconductor Processing · 2026-03-20

    Chi Zhang, Liuming Wei, Xue-Mei Zhang, Zhihong Yuan, Wenya Zhai, Peng-Fei Liu, Jingyu Li

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  19. Strong Intra‐ and Interchain Orbital Coupling Leads To Multiband and High Thermoelectric Performance In Na 2 Au X ( X = P, As, Sb, and Bi)

    Small · 2026-04-20

    Zhonghao Xia, Zhilong Yang, Yi Yang, Kaile Ren, Jiangang He

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  20. From Electrons to Energy Conversion: A First‐Principles Study of NbYAl (Y = Ni, Pd, and Pt) Half‐Heusler Thermoelectrics

    Advanced Theory and Simulations · 2026-07-30

    Beenaben Sadasivan Santhi, M. Srinivasan, Radha Sankararajan, Klinton Brito K

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