Design of High‐Performance Disordered Half‐Heusler Thermoelectric Materials Using 18‐Electron Rule
Sign Up to like & getrecommendations! Published in 2019 at "Advanced Functional Materials"
DOI: 10.1002/adfm.201905044
Abstract: Ternary half‐Heusler (HH) alloys display intriguing functionalities ranging from thermoelectric to magnetic and topological properties. For thermoelectric applications, stable HH alloys with a nominal valence electron count (VEC) of 18 per formula or defective HH… read more here.
Keywords: high performance; performance; half heusler; type ... See more keywords
Multiscale Phonon Scattering for Ultra‐Low Thermal Conductivity in Co‐Doped ZrCoBi Half‐Heusler
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202404279
Abstract: ZrCoBi‐based half‐Heuslers have great potential in thermoelectric power generation due to their high performance in both n‐ and p‐type constituents. In this work, Te and Ni is adopted as an n‐type co‐dopant to increase the… read more here.
Keywords: multiscale phonon; thermal conductivity; half heusler; half ... See more keywords
Theoretical Maximum Thermoelectric Performance of p‐Type Hf‐ and Zr‐Doped NbFeSb Half‐Heusler Compounds
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Electronic Materials"
DOI: 10.1002/aelm.202300857
Abstract: Half‐Heusler compounds are promising materials for thermoelectric applications due to their high zT at elevated temperatures. However, their intrinsic high thermal conductivity limits their efficiency. Doping with Hf or Zr can improve the zT of… read more here.
Keywords: heusler compounds; effect doping; type; half heusler ... See more keywords
Investigation of Structural, Electronic, and Dynamic Properties of Half‐Heusler Alloys XCuB (X = Ti, Zr) by First Principles Calculations
Sign Up to like & getrecommendations! Published in 2020 at "Crystal Research and Technology"
DOI: 10.1002/crat.202000116
Abstract: In order to find out the structural, electronic, and dynamic properties of TiCuB and ZrCuB half‐Heusler alloys, density functional theory within the generalized gradient approximation is used by Quantum Espresso package program. The lattice parameters,… read more here.
Keywords: dynamic properties; heusler alloys; electronic dynamic; structural electronic ... See more keywords
Investigation of the Structural, Mechanical, Electronic, Magnetic, and Thermoelectric Properties of Half Heusler Alloys ZrMnX (X = As, Sb, Te): A DFT‐Based Simulation
Sign Up to like & getrecommendations! Published in 2024 at "Crystal Research and Technology"
DOI: 10.1002/crat.202300166
Abstract: This study investigates the structural, mechanical, electronic, magnetic, and thermoelectric properties of ZrMnX (X = As, Sb, Te) half Heusler alloys using spin‐polarized density functional theory (SPDFT) with WIEN2K code using full potential linearized augmented… read more here.
Keywords: structural mechanical; electronic magnetic; half heusler; mechanical electronic ... See more keywords
Selective Scatterings of Phonons and Electrons in Defective Half-Heusler Nb1- δ CoSb for the Figure of Merit zT > 1.
Sign Up to like & getrecommendations! Published in 2023 at "Small"
DOI: 10.1002/smll.202302457
Abstract: The recently developed defective 19-electron half-Heusler (HH) compounds, represented by Nb1- δ CoSb, possess massive intrinsic vacancies at the cation site and thus intrinsically low lattice thermal conductivity that is desirable for thermoelectric (TE) applications.… read more here.
Keywords: phonons electrons; nb1 cosb; selective scatterings; half heusler ... See more keywords
Theoretical Investigations of Properties of New Half-Heusler Compounds NiFeZ (Z = Si, Ge)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-017-4378-9
Abstract: The half-Heusler alloys NiFeZ (Z = Si, Ge) are investigated theoretically in the general framework of Density Functional Theory (DFT). We have calculated structural, mechanical, elastic, electronic, magnetic, and optical properties using WIEN2k simulation package.… read more here.
Keywords: heusler; half heusler; new half; theoretical investigations ... See more keywords
Ab Initio Investigation of Structural Stability and Electronic and Magnetic Properties of the Half-Heusler Alloys: MTiSb (M = Fe, Co, and Ni)
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4568-0
Abstract: The structural, electronic, and magnetic properties of the half-Heusler MTiSb (M = Fe, Co, Ni) compounds have been examined using the first-principles calculations with the full-potential linear augmented plane wave (FP-LAPW) method within the density… read more here.
Keywords: properties half; magnetic properties; half heusler; electronic magnetic ... See more keywords
Ab Initio Prediction of the Structural, Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Ternary Compounds TiIrX (X = As and Sb)
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-017-5761-9
Abstract: The structural, electronic, elastic, and thermoelectric properties of TiIrX (X = As and Sb) half-Heusler compounds with 18 valence electrons were studied using density functional theory. The generalized gradient approximation of Perdew–Burke and Ernzerhof used for calculation… read more here.
Keywords: thermoelectric properties; structural electronic; half heusler; electronic elastic ... See more keywords
Thermoelectric Generators Fabricated from Large-Scale-Produced Zr-/Hf-Based Half-Heusler Compounds Using Ag Sinter Bonding
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-019-07366-5
Abstract: In this study, we present a fabrication process of thermoelectric (TE) power generator modules (TEGs) using the Ag sinter bonding technique for assembling the TE legs with their interconnecting bridges. As TE material, we use… read more here.
Keywords: heusler compounds; using sinter; half heusler; sinter bonding ... See more keywords
Sn Doped FeNbSb Half-Heusler Compounds for Tuning Thermoelectric Performance
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-019-07919-8
Abstract: p -Type FeNbSb-based half-Heusler compounds exhibit promising thermoelectric (TE) performance under high temperatures. Herein, the optimal sintering temperature and pressure of these compounds were determined. Sintering temperature can affect relative density, and consequently, improve TE… read more here.
Keywords: heusler compounds; doped fenbsb; half heusler; performance ... See more keywords