Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency
Abstract
Abstract Thermoelectric materials are capable of converting waste heat into electricity. The dimensionless figure-of-merit (ZT), as the critical measure for the material’s thermoelectric performance, plays a decisive role in the energy conversion efficiency. Half-Heusler materials, as one of the most promising candidates for thermoelectric power generation, have relatively low ZTs compared to other material systems. Here we report the discovery of p -type ZrCoBi-based half-Heuslers with a record-high ZT of ∼1.42 at 973 K and a high thermoelectric conversion efficiency of ∼9% at the temperature difference of ∼500 K. Such an outstanding thermoelectric performance originates from its unique band structure offering a high band degeneracy ( N v ) of 10 in conjunction with a low thermal conductivity benefiting from the low mean sound velocity ( v m ∼2800 m s −1 ). Our work demonstrates that ZrCoBi-based half-Heuslers are promising candidates for high-temperature thermoelectric power generation.
- Authors:
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1456255
- Alternate Identifier(s):
- OSTI ID: 1511491
- Grant/Contract Number:
- SC0001299
- Resource Type:
- Published Article
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Name: Nature Communications Journal Volume: 9 Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United Kingdom
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Zhu, Hangtian, He, Ran, Mao, Jun, Zhu, Qing, Li, Chunhua, Sun, Jifeng, Ren, Wuyang, Wang, Yumei, Liu, Zihang, Tang, Zhongjia, Sotnikov, Andrei, Wang, Zhiming, Broido, David, Singh, David J., Chen, Gang, Nielsch, Kornelius, and Ren, Zhifeng. Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency. United Kingdom: N. p., 2018.
Web. doi:10.1038/s41467-018-04958-3.
Zhu, Hangtian, He, Ran, Mao, Jun, Zhu, Qing, Li, Chunhua, Sun, Jifeng, Ren, Wuyang, Wang, Yumei, Liu, Zihang, Tang, Zhongjia, Sotnikov, Andrei, Wang, Zhiming, Broido, David, Singh, David J., Chen, Gang, Nielsch, Kornelius, & Ren, Zhifeng. Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency. United Kingdom. https://doi.org/10.1038/s41467-018-04958-3
Zhu, Hangtian, He, Ran, Mao, Jun, Zhu, Qing, Li, Chunhua, Sun, Jifeng, Ren, Wuyang, Wang, Yumei, Liu, Zihang, Tang, Zhongjia, Sotnikov, Andrei, Wang, Zhiming, Broido, David, Singh, David J., Chen, Gang, Nielsch, Kornelius, and Ren, Zhifeng. Wed .
"Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency". United Kingdom. https://doi.org/10.1038/s41467-018-04958-3.
@article{osti_1456255,
title = {Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency},
author = {Zhu, Hangtian and He, Ran and Mao, Jun and Zhu, Qing and Li, Chunhua and Sun, Jifeng and Ren, Wuyang and Wang, Yumei and Liu, Zihang and Tang, Zhongjia and Sotnikov, Andrei and Wang, Zhiming and Broido, David and Singh, David J. and Chen, Gang and Nielsch, Kornelius and Ren, Zhifeng},
abstractNote = {Abstract Thermoelectric materials are capable of converting waste heat into electricity. The dimensionless figure-of-merit (ZT), as the critical measure for the material’s thermoelectric performance, plays a decisive role in the energy conversion efficiency. Half-Heusler materials, as one of the most promising candidates for thermoelectric power generation, have relatively low ZTs compared to other material systems. Here we report the discovery of p -type ZrCoBi-based half-Heuslers with a record-high ZT of ∼1.42 at 973 K and a high thermoelectric conversion efficiency of ∼9% at the temperature difference of ∼500 K. Such an outstanding thermoelectric performance originates from its unique band structure offering a high band degeneracy ( N v ) of 10 in conjunction with a low thermal conductivity benefiting from the low mean sound velocity ( v m ∼2800 m s −1 ). Our work demonstrates that ZrCoBi-based half-Heuslers are promising candidates for high-temperature thermoelectric power generation.},
doi = {10.1038/s41467-018-04958-3},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United Kingdom},
year = {Wed Jun 27 00:00:00 EDT 2018},
month = {Wed Jun 27 00:00:00 EDT 2018}
}
https://doi.org/10.1038/s41467-018-04958-3
Web of Science
Figures / Tables:
Works referenced in this record:
Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials
journal, September 2015
- Fu, Chenguang; Bai, Shengqiang; Liu, Yintu
- Nature Communications, Vol. 6, Issue 1
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Power Factor Enhancement by Modulation Doping in Bulk Nanocomposites
journal, June 2011
- Zebarjadi, Mona; Joshi, Giri; Zhu, Gaohua
- Nano Letters, Vol. 11, Issue 6
Intrinsic lattice thermal conductivity of semiconductors from first principles
journal, December 2007
- Broido, D. A.; Malorny, M.; Birner, G.
- Applied Physics Letters, Vol. 91, Issue 23
Rationally Designing High-Performance Bulk Thermoelectric Materials
journal, August 2016
- Tan, Gangjian; Zhao, Li-Dong; Kanatzidis, Mercouri G.
- Chemical Reviews, Vol. 116, Issue 19
(V,Nb)-doped half Heusler alloys based on {Ti,Zr,Hf}NiSn with high ZT
journal, June 2017
- Rogl, G.; Sauerschnig, P.; Rykavets, Z.
- Acta Materialia, Vol. 131
Compromise and Synergy in High-Efficiency Thermoelectric Materials
journal, March 2017
- Zhu, Tiejun; Liu, Yintu; Fu, Chenguang
- Advanced Materials, Vol. 29, Issue 14
Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg 3 Sb 2 -based materials
journal, September 2017
- Mao, Jun; Shuai, Jing; Song, Shaowei
- Proceedings of the National Academy of Sciences, Vol. 114, Issue 40
Stronger phonon scattering by larger differences in atomic mass and size in p-type half-Heuslers Hf1−xTixCoSb0.8Sn0.2
journal, January 2012
- Yan, Xiao; Liu, Weishu; Wang, Hui
- Energy & Environmental Science, Vol. 5, Issue 6, p. 7543-7548
Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001
- Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea
- Reviews of Modern Physics, Vol. 73, Issue 2
Low Sound Velocity Contributing to the High Thermoelectric Performance of Ag 8 SnSe 6
journal, July 2016
- Li, Wen; Lin, Siqi; Ge, Binghui
- Advanced Science, Vol. 3, Issue 11
Complex thermoelectric materials
journal, February 2008
- Snyder, G. Jeffrey; Toberer, Eric S.
- Nature Materials, Vol. 7, Issue 2, p. 105-114
Dense dislocation arrays embedded in grain boundaries for high-performance bulk thermoelectrics
journal, April 2015
- Kim, Sang Il; Lee, Kyu Hyoung; Mun, Hyeon A.
- Science, Vol. 348, Issue 6230
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Cubic AgPbmSbTe2+m: Bulk Thermoelectric Materials with High Figure of Merit
journal, February 2004
- Hsu, Kuei Fang; Loo, Sim; Guo, Fu
- Science, Vol. 303, Issue 5659, p. 818-821
Recent progress of half-Heusler for moderate temperature thermoelectric applications
journal, October 2013
- Chen, Shuo; Ren, Zhifeng
- Materials Today, Vol. 16, Issue 10
High thermoelectric figure of merit by resonant dopant in half-Heusler alloys
journal, June 2017
- Chen, Long; Liu, Yamei; He, Jian
- AIP Advances, Vol. 7, Issue 6
Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric Systems
journal, September 2008
- Bell, L. E.
- Science, Vol. 321, Issue 5895, p. 1457-1461
Mechanical properties of half-Heusler alloys
journal, April 2016
- Rogl, G.; Grytsiv, A.; Gürth, M.
- Acta Materialia, Vol. 107
Strained endotaxial nanostructures with high thermoelectric figure of merit
journal, January 2011
- Biswas, Kanishka; He, Jiaqing; Zhang, Qichun
- Nature Chemistry, Vol. 3, Issue 2
Thermoelectric Property Study of Nanostructured p-Type Half-Heuslers (Hf, Zr, Ti)CoSb 0.8 Sn 0.2
journal, May 2013
- Yan, Xiao; Liu, Weishu; Chen, Shuo
- Advanced Energy Materials, Vol. 3, Issue 9
Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011
- Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron
- Nature, Vol. 473, Issue 7345, p. 66-69
Recent advances in high-performance bulk thermoelectric materials
journal, May 2016
- Shi, X.; Chen, L.; Uher, C.
- International Materials Reviews, Vol. 61, Issue 6
Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States
journal, July 2008
- Heremans, J. P.; Jovovic, V.; Toberer, E. S.
- Science, Vol. 321, Issue 5888, p. 554-557
Achieving high power factor and output power density in p-type half-Heuslers Nb 1-x Ti x FeSb
journal, November 2016
- He, Ran; Kraemer, Daniel; Mao, Jun
- Proceedings of the National Academy of Sciences, Vol. 113, Issue 48
Band Engineering of Thermoelectric Materials
journal, October 2012
- Pei, Yanzhong; Wang, Heng; Snyder, G. J.
- Advanced Materials, Vol. 24, Issue 46
Semiconductor Thermoelements and Thermoelectric Cooling
journal, May 1959
- Ioffe, A. F.; Stil'bans, L. S.; Iordanishvili, E. K.
- Physics Today, Vol. 12, Issue 5
Convergence of Conduction Bands as a Means of Enhancing Thermoelectric Performance of -Type Solid Solutions
journal, April 2012
- Liu, Wei; Tan, Xiaojian; Yin, Kang
- Physical Review Letters, Vol. 108, Issue 16
Evaluation of Half-Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
journal, October 2008
- Yang, Jiong; Li, Huanming; Wu, Ting
- Advanced Functional Materials, Vol. 18, Issue 19, p. 2880-2888
Thermoelectric Cooling and Power Generation
journal, July 1999
- DiSalvo, F. J.
- Science, Vol. 285, Issue 5428, p. 703-706
Enhanced Thermoelectric Properties in the Counter-Doped SnTe System with Strained Endotaxial SrTe
journal, February 2016
- Zhao, Li-Dong; Zhang, Xiao; Wu, Haijun
- Journal of the American Chemical Society, Vol. 138, Issue 7
First principles study of the structural, mechanical, phonon, optical, and thermodynamic properties of half-Heusler (HH) compound NbFeSb
journal, July 2015
- Çoban, C.; Çolakoğlu, K.; Çiftçi, Y. Ö
- Physica Scripta, Vol. 90, Issue 9
Isotope scattering of large-wave-vector phonons in GaAs and InSb: Deformation-dipole and overlap-shell models
journal, July 1984
- Tamura, Shin-ichiro
- Physical Review B, Vol. 30, Issue 2
Relationship between thermoelectric figure of merit and energy conversion efficiency
journal, June 2015
- Kim, Hee Seok; Liu, Weishu; Chen, Gang
- Proceedings of the National Academy of Sciences, Vol. 112, Issue 27
Moderate-temperature thermoelectric properties of TiCoSb-based half-Heusler compounds Ti1−xTaxCoSb
journal, June 2007
- Zhou, Min; Chen, Lidong; Feng, Chude
- Journal of Applied Physics, Vol. 101, Issue 11
Defect Engineering for Realizing High Thermoelectric Performance in n-Type Mg 3 Sb 2 -Based Materials
journal, September 2017
- Mao, Jun; Wu, Yixuan; Song, Shaowei
- ACS Energy Letters, Vol. 2, Issue 10
Phonon engineering through crystal chemistry
journal, January 2011
- Toberer, Eric S.; Zevalkink, Alex; Snyder, G. Jeffrey
- Journal of Materials Chemistry, Vol. 21, Issue 40
Long-Term Stability of (Ti/Zr/Hf)CoSb 1− x Sn x Thermoelectric p-Type Half-Heusler Compounds Upon Thermal Cycling
journal, October 2015
- Rausch, Elisabeth; Balke, Benjamin; Ouardi, Siham
- Energy Technology, Vol. 3, Issue 12
Advances in Thermal Conductivity
journal, August 2012
- Toberer, Eric S.; Baranowski, Lauryn L.; Dames, Chris
- Annual Review of Materials Research, Vol. 42, Issue 1
Phonon scattering by nanoscale twin boundaries
journal, February 2017
- Mao, Jun; Wang, Yumei; Liu, Zihang
- Nano Energy, Vol. 32
Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties
journal, January 2017
- Shuai, Jing; Mao, Jun; Song, Shaowei
- Energy & Environmental Science, Vol. 10, Issue 3
High-Thermoelectric Performance of Nanostructured Bismuth Antimony Telluride Bulk Alloys
journal, May 2008
- Poudel, B.; Hao, Q.; Ma, Y.
- Science, Vol. 320, Issue 5876, p. 634-638
Thermoelectric and Thermophysical Properties of TiCoSb-ZrCoSb-HfCoSb Pseudo Ternary System Prepared by Spark Plasma Sintering
journal, January 2006
- Sekimoto, Takeyuki; Kurosaki, Ken; Muta, Hiroaki
- MATERIALS TRANSACTIONS, Vol. 47, Issue 6
Improved thermoelectric performance of n-type half-Heusler MCo1-xNixSb (M = Hf, Zr)
journal, June 2017
- He, Ran; Zhu, Hangtian; Sun, Jingying
- Materials Today Physics, Vol. 1
High Efficiency Half-Heusler Thermoelectric Materials for Energy Harvesting
journal, July 2015
- Zhu, Tiejun; Fu, Chenguang; Xie, Hanhui
- Advanced Energy Materials, Vol. 5, Issue 19
Electronic structure calculations of solids using the WIEN2k package for material sciences
journal, August 2002
- Schwarz, K.; Blaha, P.; Madsen, G. K. H.
- Computer Physics Communications, Vol. 147, Issue 1-2
Figures / Tables found in this record: