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RESEARCH PAPER · Chemistry of Materials · 2017

Thermoelectric Properties of n-type ZrNiPb-Based Half-Heuslers

Jun Mao, Jiawei Zhou, Hangtian Zhu, Zihang Liu, Hao Zhang, Ran He, Gang Chen, Zhifeng Ren

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Thermoelectric Properties of n-type ZrNiPb-Based Half-HeuslersOriginalHalf-Heusler Alloys as Promising Thermoelectric Materials2Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties452Filling fraction of Yb in CoSb3 Skutterudite studied by electron microscopy8Thermoelectrics and Materials Today Physics14Defect Engineering for Realizing High Thermoelectric Performance in n-Type Mg 3 Sb 2 -Based Materials242Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg 3 Sb 2 -based materials373Electronic fitness function for screening semiconductors as thermoelectric materials131Microstructure and thermoelectric properties of Cu2Te-Sb2Te3 pseudo-binary system23Unusual consequences of donor and acceptor doping on the thermoelectric properties of the MgAg 0.97 Sb 0.99 alloy10Unravelling the magnetism, high spin polarization and thermoelectric efficiency of ZrFeSi half-Heusler21High performance p-type half-Heusler thermoelectric materials90Ab Initio Study of Electronic, Magnetic, and Thermoelectric Response of ZTi2O4 (Z = Mg, Zn, and Cd) Through mBJ Potential9Recent advances in non-Pb-based group-IV chalcogenides for environmentally-friendly thermoelectric materials13Advances in thermoelectrics591Routes for high-performance thermoelectric materials393Ultrahigh Power Factor in Thermoelectric System Nb0.95M0.05FeSb (M = Hf, Zr, and Ti)55Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles66First-principles study of elastic, electronic, thermodynamic, and thermoelectric transport properties of TaCoSn102Large reduction of thermal conductivity leading to enhanced thermoelectric performance in p-type Mg 3 Bi 2 –YbMg 2 Bi 2 solid solutions32Reduction in thermal conductivity of n-type ZrNiPb- based half–Heusler compounds via compositional engineering approach2Reinforced bond covalency and multiscale hierarchical architecture to high performance eco-friendly MnTe-based thermoelectric materials48Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance386Thermoelectric response of ZrNiSn and ZrNiPb Half-Heuslers: Applicability of semi-classical Boltzmann transport theory42Electronical and thermoelectric properties of half‐Heusler ZrNiPb under pressure in bulk and nanosheet structures for energy conversion26Manipulation of Ni Interstitials for Realizing Large Power Factor in TiNiSn‐Based Materials50Thermoelectric power generation: from new materials to devices216n-Type TaCoSn-Based Half-Heuslers as Promising Thermoelectric Materials63Structural distortion dependence of thermoelectric properties in CoFeZrSi Heusler material2First-principles study of electronic and thermoelectric properties of Zr1-xHfxNiPb (x=0.12) compound1Shallow Impurity Band in ZrNiSn10Thermoelectric Properties of Zintl Phase YbMg2Sb269Shallow impurity band in ZrNiSn10Thermoelectric and half-metallic behavior of the Co2TaAl: a DFT study3Enhancement of thermoelectric performance of YbMg2Bi2-based materials by alloying and doping with suppressed bipolar effect3Implication of nanostructuring of bulk nanocomposite Ti9Ni7Sn8 on the optimization of high thermoelectric performance10Review of current high-ZT thermoelectric materials413Effect of Bi-substitution on Structural Stability and Improved Thermoelectric Performance of p-type Half-Heusler TaSbRu: A First-principles Study9An extensive investigation of structural, electronic, thermoelectric and optical properties of bi-based half-Huesler alloys by first principles calculations30Improved thermoelectric properties of doped A0.5B0.5NiSn (A, B = Ti, Zr, Hf) with a special quasirandom structure4Electronic fitness function, effective mass and thermoelectric properties of Rh-based (-ScTe; -TiSb; -VSn) alloys for thermoelectric generator applications8Achieving N-Type Conduction in YbMg 2Sb 2-Based Compounds Through Defect Engineering and Doping0Beyond 3D-traditional materials thermoelectric materials3A Theoretical Study on the Thermal Conductivity and Thermoelectric Properties of CoNbSi and CoNbSn8A DFT Study of Structural, Elastic, Thermodynamic, Magneto-optical, and Electrical Properties of Double-Perovskite Bi2CrMO6 (M = Zn, Ni) Using GGA and TB-mBj Functionals34High‐Pressure‐Sintering‐Induced Microstructural Engineering for an Ultimate Phonon Scattering of Thermoelectric Half‐Heusler Compounds24Ferromagnetic Cr4PtGa17: A Half-Heusler-Type Compound with a Breathing Pyrochlore Lattice10Synergistically enhanced thermoelectric properties of Bi 2 S 3 bulk materials via Cu interstitial doping and BiCl 3 alloying32Enhancement of Thermoelectric Properties in n-type NbCoSn Half-Heusler Compounds via Ta Alloying24A Systematic Approach for Semiconductor Half-Heusler47Achieving n-type conduction in YbMg2Sb2-based compounds through defect engineering and doping20Prediction of NbXGe (X = Rh, Ir) half-Heusler semiconducting compounds with promising thermoelectric property using 18-electron rule3Transport Behavior and Thermoelectric Properties of Amg2sb2-Based Zintl Phases: The First-Principles Study3Understanding the influence of Bi/Sb substitution on carrier concentration in Mg 3 Sb 2 -based materials: decreasing bandgap enhances the degree of impurity ionization5Key properties of inorganic thermoelectric materials—tables (version 1)127Computational prediction of high thermoelectric performance in MPtSn (M = Ti, Zr, and Hf) half-Heusler compounds by first-principle study12Crystallographic design for half-Heuslers with low lattice thermal conductivity36Combined Tactics for Elevating the Thermoelectric Performance of CaMg 2 Sb 2 ‐Based p‐type Materials15Magnetically Enhanced Thermoelectric Performance of Ti0.75NiSb+x mol % Fe (x = 0–5) Nanocomposites11Effet du dopage en fer sur le magnétisme de composés sulfures thermoélectriques0Coupling of electronic transport and defect engineering substantially enhances the thermoelectric performance of p-type TiCoSb HH alloy12Enhanced Thermoelectric Properties and Flexibility of 2D Bi2Si2Te6 Nanosheets and PEDOT:PSS-Based Thermoelectric Composites8Half-Heusler alloys as emerging high power density thermoelectric cooling materials146Development of Thermoelectric Half-Heusler Alloys over the Past 25 Years84Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi39Effects of magnetic Fe doping on the thermoelectric properties of TiNiSn nanomaterials prepared via melt spinning method12Weak electron-phonon coupling contributing to enhanced thermoelectric performance in n-type TiCoSb half-Heusler alloys14Lattice dynamics and thermoelectric properties of diamondoid materials94Machine learning based feature engineering for thermoelectric materials by design38Thermoelectric properties of Co doped TiNiCoxSn alloys fabricated by melt spinning5Thermoelectric properties of half-Heusler alloys50Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi)18Low-temperature thermoelectric materials and applications70Multiphonon interaction and thermal conductivity in half-Heusler LuNiBi14Influence of quartic anharmonicity on lattice dynamics and thermal transport properties of 16 antifluorite structures24Substantial enhancement in thermoelectric figure-of-merit of half-Heusler ZrNiPb alloys4Effect on thermoelectric and mechanical properties of interstitial void filling by Cu in ZrNiSn HH alloy5Theoretical Investigation of Elastic, Electronic, and Thermodynamic Properties of Half-Heusler Semiconductors ZrNiPb and ZrPdPb Under Pressure2Strategies to enhance thermoelectric performance: Review13Oxygen adsorption effects on geometries and electronics of thermoelectric PbTe surfaces4Strategies to Suppress Thermal Conductivity in Half-Heusler Compounds for Thermoelectric Applications: A Comprehensive Review8Thermoelectric Properties of (Nb0.6Ta0.4)0.8Ti0.2FeSb/Carbon Nanotube Composites0Functional dependence of d-state bonding and magnetovolume effects in Heusler alloys0Optimized Thermoelectric Properties in Ta-Doped NbFeSb Alloys via the Lanthanide Contraction Effect for Wearable Applications5Thermoelectric performance enhancement of 18-electron Ti0.75NiSb half-Heusler alloy via Fe substitution0Magneto-electronic, structural, mechanical, transport and optical attributes of Vanadium-based half Heusler alloy for spintronics, optoelectronic and thermoelectric applications0

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  1. Half-Heusler Alloys as Promising Thermoelectric Materials

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  2. Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties

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    Jing Shuai, Jun Mao, Shaowei Song, Qing Zhu, Jifeng Sun, Yumei Wang, Ran He, Jiawei Zhou, Gang Chen, David Joseph Singh, Zhifeng Ren

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  3. Filling fraction of Yb in CoSb3 Skutterudite studied by electron microscopy

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  4. Thermoelectrics and Materials Today Physics

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  5. Defect Engineering for Realizing High Thermoelectric Performance in n-Type Mg 3 Sb 2 -Based Materials

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  6. Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg 3 Sb 2 -based materials

    Proceedings of the National Academy of Sciences · 2017-09-18

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  7. Electronic fitness function for screening semiconductors as thermoelectric materials

    Physical Review Materials · 2017-11-17

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  8. Microstructure and thermoelectric properties of Cu2Te-Sb2Te3 pseudo-binary system

    Applied Surface Science · 2017-11-26

    Shriparna Mukherjee, Olu Emmanuel Femi, Raju Chetty, K. Chattopadhyay, Satyam Suwas, Ramesh Chandra Mallik

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  9. Unusual consequences of donor and acceptor doping on the thermoelectric properties of the MgAg 0.97 Sb 0.99 alloy

    Journal of Materials Chemistry A · 2018-01-01

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  10. Unravelling the magnetism, high spin polarization and thermoelectric efficiency of ZrFeSi half-Heusler

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  11. High performance p-type half-Heusler thermoelectric materials

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  12. Ab Initio Study of Electronic, Magnetic, and Thermoelectric Response of ZTi2O4 (Z = Mg, Zn, and Cd) Through mBJ Potential

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  13. Recent advances in non-Pb-based group-IV chalcogenides for environmentally-friendly thermoelectric materials

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  14. Advances in thermoelectrics

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  15. Routes for high-performance thermoelectric materials

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  16. Ultrahigh Power Factor in Thermoelectric System Nb0.95M0.05FeSb (M = Hf, Zr, and Ti)

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  17. Band Structures and Transport Properties of High-Performance Half-Heusler Thermoelectric Materials by First Principles

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  18. First-principles study of elastic, electronic, thermodynamic, and thermoelectric transport properties of TaCoSn

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  19. Large reduction of thermal conductivity leading to enhanced thermoelectric performance in p-type Mg 3 Bi 2 –YbMg 2 Bi 2 solid solutions

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  20. Reduction in thermal conductivity of n-type ZrNiPb- based half–Heusler compounds via compositional engineering approach

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  21. Reinforced bond covalency and multiscale hierarchical architecture to high performance eco-friendly MnTe-based thermoelectric materials

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  22. Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance

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  23. Thermoelectric response of ZrNiSn and ZrNiPb Half-Heuslers: Applicability of semi-classical Boltzmann transport theory

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  24. Electronical and thermoelectric properties of half‐Heusler ZrNiPb under pressure in bulk and nanosheet structures for energy conversion

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  25. Manipulation of Ni Interstitials for Realizing Large Power Factor in TiNiSn‐Based Materials

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  26. Thermoelectric power generation: from new materials to devices

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

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  28. Structural distortion dependence of thermoelectric properties in CoFeZrSi Heusler material

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  29. First-principles study of electronic and thermoelectric properties of Zr1-xHfxNiPb (x=0.12) compound

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  37. Effect of Bi-substitution on Structural Stability and Improved Thermoelectric Performance of p-type Half-Heusler TaSbRu: A First-principles Study

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  38. An extensive investigation of structural, electronic, thermoelectric and optical properties of bi-based half-Huesler alloys by first principles calculations

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