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RESEARCH PAPER · ACS Applied Materials & Interfaces · 2019

n-Type TaCoSn-Based Half-Heuslers as Promising Thermoelectric Materials

Shan Li, Hangtian Zhu, Jun Mao, Zhenzhen Feng, Xiaofang Li, Chen Chen, Feng Cao, Xingjun Liu, David Joseph Singh, Zhifeng Ren, Qian Zhang

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n-Type TaCoSn-Based Half-Heuslers as Promising Thermoelectric MaterialsOriginalThermoelectric properties of n-type half-Heusler NbCoSn with heavy-element Pt substitution71Improved Thermoelectric Performance in N-Type Half-Heusler NbCoSn by Heavy-Element Pt Doping0Intermediate-level doping strategy to simultaneously optimize power factor and phonon thermal conductivity for improving thermoelectric figure of merit36Half-Heusler thermoelectric materials: NMR studies8Enhanced thermoelectric performance of n‐type TiCoSb half‐Heusler by Ta doping and Hf alloying74Probing the martensite transition and thermoelectric properties of Co x Ta Z ( Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory10Optimization of Criteria for an Efficient Screening of New Thermoelectric Compounds: The TiNiSi Structure-Type as a Case-Study10Thermoelectric and Piezoelectric Properties in Half-Heusler Compounds TaXSn (X = Co, Rh and Ir) Based on Ab Initio Calculations29The thermal and electrical transport properties of layered LaCuOSe under high pressure34Absence of phonon gap driven ultralow lattice thermal conductivity in half-Heusler LuNiBi22Explanation for the conductivity difference of half-Heusler transparent conductors via ionization energy9First-principles prediction of structural stability and thermoelectric properties of SrGaSnH12The multi-dimensional approach to synergistically improve the performance of inorganic thermoelectric materials: A critical review37Structural stability and thermoelectric properties of new discovered half-Heusler KLaX (X = C, Si, Ge, and Sn) compounds24Outstanding thermoelectric performance of n -type half-Heusler V(Fe 1 − x Co x )Sb compounds at room-temperature19Thermoelectrics by Computational Design: Progress and Opportunities43High‐Pressure‐Sintering‐Induced Microstructural Engineering for an Ultimate Phonon Scattering of Thermoelectric Half‐Heusler Compounds24Structural, electronic, dynamic, optic and elastic properties of MgScGa via density functional theory2Effects of Doping Ni on the Microstructures and Thermoelectric Properties of Co-Excessive NbCoSn Half-Heusler Compounds33Systematic investigation of magnetic, optical and transport properties of RTX (R = Rare earth, T = 3d/4d and X = p-block elements) for thermoelectric applications1Enhanced figure of merit of TaIrGe Half-Heusler alloy for thermoelectric applications under the effect of isotropic strain18Synergistically Optimizing Electrical and Thermal Transport Properties of ZrCoSb through Ru Doping2018-Electron half-Heusler compound Ti 0.75 NiSb with intrinsic Ti vacancies as a promising thermoelectric material38Discovery of a Slater–Pauling Semiconductor ZrRu1.5Sb with Promising Thermoelectric Properties31Low thermal conductivity and high thermoelectric performance via Cd underbonding in half-Heusler PCdNa39Crystallographic design for half-Heuslers with low lattice thermal conductivity36Mapping Thermoelectric Transport in a Multicomponent Alloy Space15Magnetically Enhanced Thermoelectric Performance of Ti0.75NiSb+x mol % Fe (x = 0–5) Nanocomposites11Discovery of YbNiSb-Based Half-Heusler Alloys as Promising Thermoelectric Materials10Rare earth element Ce enables high thermoelectric performance in n-type SnSe polycrystals22Low Lattice Thermal Conductivity in a Wider Temperature Range for Biphasic-Quaternary (Ti,V)CoSb Half-Heusler Alloys19Entropy-driven multiscale defects enhance the thermoelectric properties of ZrCoSb-based half-Heusler alloys42Improving thermoelectric performance of half-Heusler Ti0.2Hf0.8CoSb0.8Sn0.2 compounds via the introduction of excessive Ga and Co-deficiencies1Enhancing thermoelectric properties of MCoSb-based alloys by entropy-driven energy-filtering effects and band engineering17Design of Heusler Alloys from Co, Ta, and Sn Atoms within Ab Initio Study of Their Wyckoff Positions for Thermoelectric Applications1Enhanced thermoelectric power factor of Se-doped SnS nanostructures for flexible thermoelectric applications8SrCuP and SrCuSb Zintl phases as potential thermoelectric materials11The role of interstitial Cu on thermoelectric properties of ZrNiSn half-Heusler compounds26Enhanced Thermoelectric Properties and Flexibility of 2D Bi2Si2Te6 Nanosheets and PEDOT:PSS-Based Thermoelectric Composites8Structure and thermoelectric property evolution of TiFe1.1−xNixSb with the filling of Ni12Development of Thermoelectric Half-Heusler Alloys over the Past 25 Years84Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi39Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications10High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications6Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications0Thermoelectric Properties of LiYSi Half-Heusler Alloy1Enhanced thermoelectric figure of merit in Ta-doped TiCoSb half-Heusler bulks through simultaneously optimising electrical transport property and reducing thermal conductivity3Multiphonon interaction and thermal conductivity in half-Heusler LuNiBi14Ab initio investigation of Co-(V,Nb)–Sn Heusler alloys for thermoelectric applications2Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures24Strategic Design and Mechanistic Understanding of Vacancy‐Filling Heusler Thermoelectric Semiconductors12Highly Refractive Transparent Half‐Heuslers for Near Infrared Optics and Their Material Design1Mapping the configuration space of half-Heusler compounds via subspace identification for thermoelectric materials discovery4Spinodal decomposition promoting high thermoelectric performance in half-Heusler25Enhanced Thermoelectric and Mechanical Properties of ZrNiSn Half-Heusler Compounds by Excess Ag Doping at Ni Sites3Theoretical prediction of electronic and thermal transport properties of the double half-Heusler compounds X 2 FeNiSn 2 ( X = Ta , Nb , V )6Data-driven approach for potential iron-based half-Heusler thermoelectrics with chemical bonding characteristics11Thermoelectric Properties of NbCoNixSn (x = 0–1)0Strategies to Suppress Thermal Conductivity in Half-Heusler Compounds for Thermoelectric Applications: A Comprehensive Review8Alloying-induced reduction of lattice thermal conductivity in TiFeTe1Continuous Alloying between Rocksalt and Half-Heusler Structures Drives Metal–Semiconductor Transition in ErNi x Sb0Introducing multi-scale scattering centers into NbCoSb half-Heusler alloys via vacancy engineering to achieve high-performance thermoelectric properties1Analysis of Electronic, Dynamic and Elastic Properties of The Half-Heusler MgScB Crystal Using Density Functional Theory0

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  1. Thermoelectric properties of n-type half-Heusler NbCoSn with heavy-element Pt substitution

    Journal of Materials Chemistry A · 2020-01-01

    Federico M. Serrano-Sanchez, Ting Luo, Junjie Yu, Wenjie Xie, Congcong Le, Gudrun Auffermann, Anke Weidenkaff, Tiejun Zhu, Xinbing Zhao, J. A. Alonso, Baptiste Gault, Claudia Felser, Chenguang Fu

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  2. Improved Thermoelectric Performance in N-Type Half-Heusler NbCoSn by Heavy-Element Pt Doping

    ChemRxiv · 2020-04-29

    Federico M. Serrano-Sanchez, Ting Luo, Junjie Yu, Wenjie Xie, Gudrun Auffermann, Anke Weidenkaff, Tiejun Zhu, Xinbing Zhao, J. A. Alonso, Baptiste Gault, Claudia Felser, Chenguang Fu

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  3. Intermediate-level doping strategy to simultaneously optimize power factor and phonon thermal conductivity for improving thermoelectric figure of merit

    Materials Today Physics · 2020-07-05

    Wuyang Ren, Qian Song, Haojie Zhu, Jun Mao, L. You, Geethal Amila Gamage, Jiawei Zhou, Ting Zhou, Jun Jiang, Chao Wang, Jun Luo, Jianhui Wu, Zinan Wang, Gang Chen, Z.F. Ren

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  4. Half-Heusler thermoelectric materials: NMR studies

    Journal of Applied Physics · 2020-08-04

    Yefan Tian, Nader Ghassemi, Wuyang Ren, Hangtian Zhu, Shan Li, Qian Zhang, Zhiming Wang, Zhifeng Ren, Joseph H. Ross

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  5. Enhanced thermoelectric performance of n‐type TiCoSb half‐Heusler by Ta doping and Hf alloying

    Rare Metals · 2020-09-22

    Ruifang Wang, Shan Li, Wenhua Xue, Chen Chen, Yumei Wang, Xingjun Liu, Qian Zhang

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  6. Probing the martensite transition and thermoelectric properties of Co x Ta Z ( Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

    Journal of Physics Condensed Matter · 2020-09-24

    Rajeev Dutt, Dhanshree Pandey, Aparna Chakrabarti

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  7. Optimization of Criteria for an Efficient Screening of New Thermoelectric Compounds: The TiNiSi Structure-Type as a Case-Study

    ACS Combinatorial Science · 2020-10-20

    Céline Barreteau, Jean‐Claude Crivello, Jean-Marc Joubert, E. Alleno

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  8. Thermoelectric and Piezoelectric Properties in Half-Heusler Compounds TaXSn (X = Co, Rh and Ir) Based on Ab Initio Calculations

    International Journal of Thermophysics · 2020-10-27

    Z. A. A. R. Almaghbash, Omar Arbouche, Ameur Dahani, Abdelhamid Cherifi, M. Belabbas, Abdeldjelil Amara Zenati, Hanifi Mebarki, A. Hussain

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  9. The thermal and electrical transport properties of layered LaCuOSe under high pressure

    Journal of Alloys and Compounds · 2020-11-20

    S. M. Feng, Ning Wang, Menglu Li, Haiyan Xiao, Zi‐Jiang Liu, Xiaotao Zu, Liang Qiao

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  10. Absence of phonon gap driven ultralow lattice thermal conductivity in half-Heusler LuNiBi

    Journal of Materials Chemistry C · 2021-01-01

    Xiao-Xia Yu, Jiawang Hong

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  11. Explanation for the conductivity difference of half-Heusler transparent conductors via ionization energy

    Physical Chemistry Chemical Physics · 2021-01-01

    Mi Zhong, Wei Dong Zeng, Fusheng Liu, Bin Tang, Qi‐Jun Liu

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  12. First-principles prediction of structural stability and thermoelectric properties of SrGaSnH

    RSC Advances · 2021-01-01

    Enamul Haque, Mizanur Rahaman

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  13. The multi-dimensional approach to synergistically improve the performance of inorganic thermoelectric materials: A critical review

    Arabian Journal of Chemistry · 2021-03-07

    Yakubu Sani Wudil, M.A. Gondal, Munirah Abdullah Almessiere, Abduljabar Q. Alsayoud

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  14. Structural stability and thermoelectric properties of new discovered half-Heusler KLaX (X = C, Si, Ge, and Sn) compounds

    Computational and Theoretical Chemistry · 2021-03-23

    Youcef Cherchab, Rafael González‐Hernández

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  15. Outstanding thermoelectric performance of n -type half-Heusler V(Fe 1 − x Co x )Sb compounds at room-temperature

    Acta Materialia · 2021-05-28

    Yi Huang, Kei Hayashi, Yuzuru Miyazaki

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  16. Thermoelectrics by Computational Design: Progress and Opportunities

    Annual Review of Materials Research · 2021-06-17

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  17. High‐Pressure‐Sintering‐Induced Microstructural Engineering for an Ultimate Phonon Scattering of Thermoelectric Half‐Heusler Compounds

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    Ran He, Taishan Zhu, Pingjun Ying, Jie Chen, Lars Giebeler, U. Kühn, Jeffrey C. Grossman, Yumei Wang, Kornelius Nielsch

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  18. Structural, electronic, dynamic, optic and elastic properties of MgScGa via density functional theory

    Solid State Communications · 2021-07-12

    Emel Kılıt Dogan, Sinem Erden Gülebağlan

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  19. Effects of Doping Ni on the Microstructures and Thermoelectric Properties of Co-Excessive NbCoSn Half-Heusler Compounds

    ACS Applied Materials & Interfaces · 2021-07-19

    Ruijuan Yan, Ruiwen Xie, Wenjie Xie, Chen Shen, Wei Li, Benjamin Balke, Songhak Yoon, Hongbin Zhang, Anke Weidenkaff

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  20. Systematic investigation of magnetic, optical and transport properties of RTX (R = Rare earth, T = 3d/4d and X = p-block elements) for thermoelectric applications

    International Journal of Modern Physics B · 2021-08-05

    Asif Jamil, Nawaz Muhammad, G. Murtaza, Muhammad Hassan Asif

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  21. Enhanced figure of merit of TaIrGe Half-Heusler alloy for thermoelectric applications under the effect of isotropic strain

    Journal of Solid State Chemistry · 2021-08-18

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  22. Synergistically Optimizing Electrical and Thermal Transport Properties of ZrCoSb through Ru Doping

    ACS Applied Energy Materials · 2021-11-16

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  23. 18-Electron half-Heusler compound Ti 0.75 NiSb with intrinsic Ti vacancies as a promising thermoelectric material

    Journal of Materials Chemistry A · 2022-01-01

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  24. Discovery of a Slater–Pauling Semiconductor ZrRu1.5Sb with Promising Thermoelectric Properties

    Advanced Functional Materials · 2022-03-17

    Luyao Wang, Zirui Dong, Shi-Hua Tan, Jiye Zhang, Wenqing Zhang, Jun Luo

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  25. Low thermal conductivity and high thermoelectric performance via Cd underbonding in half-Heusler PCdNa

    Physical review. B./Physical review. B · 2022-03-29

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  26. Crystallographic design for half-Heuslers with low lattice thermal conductivity

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  27. Mapping Thermoelectric Transport in a Multicomponent Alloy Space

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  28. Magnetically Enhanced Thermoelectric Performance of Ti0.75NiSb+x mol % Fe (x = 0–5) Nanocomposites

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  29. Discovery of YbNiSb-Based Half-Heusler Alloys as Promising Thermoelectric Materials

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  30. Rare earth element Ce enables high thermoelectric performance in n-type SnSe polycrystals

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  31. Low Lattice Thermal Conductivity in a Wider Temperature Range for Biphasic-Quaternary (Ti,V)CoSb Half-Heusler Alloys

    ACS Applied Materials & Interfaces · 2022-11-30

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  32. Entropy-driven multiscale defects enhance the thermoelectric properties of ZrCoSb-based half-Heusler alloys

    Chemical Engineering Journal · 2022-12-01

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  33. Improving thermoelectric performance of half-Heusler Ti0.2Hf0.8CoSb0.8Sn0.2 compounds via the introduction of excessive Ga and Co-deficiencies

    Ceramics International · 2022-12-06

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  34. Enhancing thermoelectric properties of MCoSb-based alloys by entropy-driven energy-filtering effects and band engineering

    Materials Today Physics · 2022-12-23

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  35. Design of Heusler Alloys from Co, Ta, and Sn Atoms within Ab Initio Study of Their Wyckoff Positions for Thermoelectric Applications

    SSRN Electronic Journal · 2023-01-01

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  36. Enhanced thermoelectric power factor of Se-doped SnS nanostructures for flexible thermoelectric applications

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  37. SrCuP and SrCuSb Zintl phases as potential thermoelectric materials

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  38. The role of interstitial Cu on thermoelectric properties of ZrNiSn half-Heusler compounds

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  39. Enhanced Thermoelectric Properties and Flexibility of 2D Bi2Si2Te6 Nanosheets and PEDOT:PSS-Based Thermoelectric Composites

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  40. Structure and thermoelectric property evolution of TiFe1.1−xNixSb with the filling of Ni

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  41. Development of Thermoelectric Half-Heusler Alloys over the Past 25 Years

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

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  43. Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications

    Computational and Theoretical Chemistry · 2023-08-30

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  44. High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications

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  45. Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications

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  46. Thermoelectric Properties of LiYSi Half-Heusler Alloy

    Springer Proceedings in Materials · 2023-11-14

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  47. Enhanced thermoelectric figure of merit in Ta-doped TiCoSb half-Heusler bulks through simultaneously optimising electrical transport property and reducing thermal conductivity

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  48. Multiphonon interaction and thermal conductivity in half-Heusler LuNiBi

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  49. Ab initio investigation of Co-(V,Nb)–Sn Heusler alloys for thermoelectric applications

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  50. Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures

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