Approaching the minimum lattice thermal conductivity in TiCoSb half-Heusler alloys by intensified point-defect phonon scattering

Literature Information

Publication Date 2023-11-27
DOI 10.1039/D3MA00923H
Impact Factor 0
Authors

Christophe Candolfi, Bertrand Lenoir


View Original

Abstract

Half-Heusler (HH) alloys based on TiCoSb are becoming popular semiconducting materials for mid-temperature thermoelectric (TE) applications, due to their superior Seebeck coefficient, moderate electrical conductivity, and excellent mechanical properties. However, their practical applicability is mainly limited by their high lattice thermal conductivity. Here, we show how a multi-alloying approach that involves co-substitution of Zr and Hf on the Ti site and Bi on the Sb site can significantly lower the heat transport of the TiCo0.85Fe0.15Sb alloy due to enhanced mass and strain-field fluctuations in the lattice. The substantial rise in point-defect phonon scattering leads to a sharp reduction in the lattice thermal conductivity from 8 to 2 W m−1 K−1 at ∼300 K and from 5 to 1.74 W m−1 K−1 at ∼843 K in Ti0.5Zr0.2Hf0.3Co0.85Fe0.15Sb0.96Bi0.4. The achieved thermal conductivity is the lowest value reported so far among TiCoSb-based alloys. Importantly, the reduction in thermal conductivity outweighs the concomitant decrease in the power factor, ultimately leading to an improved thermoelectric figure of merit ZT. Our findings show that creating large point defects through heavy isovalent substitution is an effective approach to significantly reduce the phonon transport in HH alloys.

Related Literature

Identification of synergistic Cu/V redox pair in VCu:AlPO-5; a comparison with VCu:ZSM-5

Katrine Lie Bøyesen, Tina Kristiansen, Karina Mathisen

2014-08-12 Paper

DOI: 10.1039/C4CP02503B

Microsecond molecular dynamics simulation of guanidinium chloride induced unfolding of ubiquitin

Manoj Mandal, Chaitali Mukhopadhyay

2014-08-21 Paper

DOI: 10.1039/C4CP01657B

Bandgap opening/closing of graphene antidot lattices with zigzag-edged hexagonal holes

Shenglin Peng, Zhixiong Yang, Yu Chen, Hui Zou, Xiang Xiong

2014-08-05 Paper

DOI: 10.1039/C4CP02090A

Defect self-doped TiO2 for visible light activity and direct noble metal anchoring

Zengxia Pei, Luyao Ding, Wenhui Feng, Sunxian Weng, Ping Liu

2014-07-03 Paper

DOI: 10.1039/C4CP02286F

The conjugated oligoelectrolyte DSSN+ enables exceptional coulombic efficiency via direct electron transfer for anode-respiring Shewanella oneidensis MR-1—a mechanistic study

Nathan D. Kirchhofer, Xiaofen Chen, Enrico Marsili, James J. Sumner, Frederick W. Dahlquist

2014-07-25 Communication

DOI: 10.1039/C4CP03197K

Raman mapping investigation of chemical vapor deposition-fabricated twisted bilayer graphene with irregular grains

Yuming Chen, Lijuan Meng, Weiwei Zhao, Zheng Liang, Xing Wu, Haiyan Nan, Zhangting Wu, Shan Huang, Litao Sun, Jinlan Wang, Zhenhua Ni

2014-08-26 Paper

DOI: 10.1039/C4CP03386H

Stability and binding interaction of bilirubin on a gold nano-surface: steady state fluorescence and FT-IR investigation

Mritunjoy Maity, Supriya Das, Nakul C. Maiti

2014-08-01 Paper

DOI: 10.1039/C4CP02649G

Temperature-dependent dynamics of water in aqueous NaPF6 solution

Dayoung Nam, Chiho Lee

2014-08-21 Paper

DOI: 10.1039/C4CP02823F

You might also like

Compound Q&A

What precautions should be taken when handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3)?

When handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3), it is ...

71193-32-32-Chloro-1,2-bis(4-m...
Compound Q&A

What industries use 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride (CAS: 224789-26-8)?

4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl...

224789-26-84-Ethoxy-3-(5-methyl...
Compound Q&A

How should Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) be stored?

Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) should be stored in a c...

2681-55-2Methyl 3-Oxo-4-Andro...
Compound Q&A

What are the main uses of (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (CAS: 909725-61-7)?

(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid is primarily used i...

909725-61-7(R)-3-Amino-4-(3-hex...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-3)?

2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-...

1254120-14-32-Methyl-2-propanyl ...
Compound Q&A

Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?

There are alternative reagents that can be used in synthesis instead of (E)-4-(t...

135355-96-3(E)-4-(tert-Butoxy)-...
Compound Q&A

What are the physical and chemical properties of [2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8)?

[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8) is a crystallin...

121202-20-8[2-(3-Chlorophenyl)-...
166249-17-8Methyl (2S)-[(4S)-2,...
Compound Q&A

What is the market or research trend for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0)?

The market for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0) is driven by its use...

42865-19-01-Bromo-2-isocyanato...
Compound Q&A

What are the main uses of 4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3)?

4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3) is primarily used in re...

147065-06-34-Nitro-D-phenylalan...
Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.