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Title: Enhanced Thermoelectric Performance in 18-Electron Nb 0.8 CoSb Half-Heusler Compound with Intrinsic Nb Vacancies

Abstract

Typical 18-electron half-Heusler compounds, ZrNiSn and NbFeSb, are identified as promising high-temperature thermoelectric materials. NbCoSb with nominal 19 valence electrons, which is supposed to be metallic, is recently reported to also exhibit thermoelectric properties of a heavily doped n-type semiconductor. Here for the first time, it is experimentally demonstrated that the nominal 19-electron NbCoSb is actually the composite of 18-electron Nb 0.8+δCoSb (0 ≤ δ < 0.05) and impurity phases. Single-phase Nb 0.8δ+CoSb with intrinsic Nb vacancies, following the 18-electron rule, possesses improved thermoelectric performance, and the slight change in the content of Nb vacancies has a profound effect on the thermoelectric properties. The carrier concentration can be controlled by varying the Nb deficiency, and the optimization of the thermoelectric properties can be realized within the narrow pure phase region. Benefiting from the elimination of impurity phases and the optimization of carrier concentration, thermoelectric performance is remarkably enhanced by ≈100% and a maximum zT of 0.9 is achieved in Nb 0.83CoSb at 1123 K. Here, this work expands the family of half-Heusler thermoelectric materials and opens a new avenue for searching for nominal 19-electron half-Heusler compounds with intrinsic vacancies as promising thermoelectric materials.

Authors:
 [1];  [1];  [2];  [2];  [1];  [1];  [3];  [1]; ORCiD logo [1]
  1. Zhejiang Univ., Hangzhou (China). State Key Lab. of Silicon Materials and School of Materials Science and Engineering
  2. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering
  3. State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 China
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1470455
Alternate Identifier(s):
OSTI ID: 1416251
Grant/Contract Number:  
SC0001299; FG02-09ER46577
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Advanced Functional Materials
Additional Journal Information:
Journal Volume: 28; Journal Issue: 9; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 1616-301X
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; solar (photovoltaic); solar (thermal); solid state lighting; phonons; thermal conductivity; thermoelectric; defects; mechanical behavior; charge transport; spin dynamics; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly); synthesis (scalable processing)

Citation Formats

Xia, Kaiyang, Liu, Yintu, Anand, Shashwat, Snyder, G. Jeffrey, Xin, Jiazhan, Yu, Junjie, Zhao, Xinbing, Zhao, X. B., and Zhu, Tiejun. Enhanced Thermoelectric Performance in 18-Electron Nb0.8 CoSb Half-Heusler Compound with Intrinsic Nb Vacancies. United States: N. p., 2018. Web. doi:10.1002/adfm.201705845.
Xia, Kaiyang, Liu, Yintu, Anand, Shashwat, Snyder, G. Jeffrey, Xin, Jiazhan, Yu, Junjie, Zhao, Xinbing, Zhao, X. B., & Zhu, Tiejun. Enhanced Thermoelectric Performance in 18-Electron Nb0.8 CoSb Half-Heusler Compound with Intrinsic Nb Vacancies. United States. doi:10.1002/adfm.201705845.
Xia, Kaiyang, Liu, Yintu, Anand, Shashwat, Snyder, G. Jeffrey, Xin, Jiazhan, Yu, Junjie, Zhao, Xinbing, Zhao, X. B., and Zhu, Tiejun. Fri . "Enhanced Thermoelectric Performance in 18-Electron Nb0.8 CoSb Half-Heusler Compound with Intrinsic Nb Vacancies". United States. doi:10.1002/adfm.201705845. https://www.osti.gov/servlets/purl/1470455.
@article{osti_1470455,
title = {Enhanced Thermoelectric Performance in 18-Electron Nb0.8 CoSb Half-Heusler Compound with Intrinsic Nb Vacancies},
author = {Xia, Kaiyang and Liu, Yintu and Anand, Shashwat and Snyder, G. Jeffrey and Xin, Jiazhan and Yu, Junjie and Zhao, Xinbing and Zhao, X. B. and Zhu, Tiejun},
abstractNote = {Typical 18-electron half-Heusler compounds, ZrNiSn and NbFeSb, are identified as promising high-temperature thermoelectric materials. NbCoSb with nominal 19 valence electrons, which is supposed to be metallic, is recently reported to also exhibit thermoelectric properties of a heavily doped n-type semiconductor. Here for the first time, it is experimentally demonstrated that the nominal 19-electron NbCoSb is actually the composite of 18-electron Nb0.8+δCoSb (0 ≤ δ < 0.05) and impurity phases. Single-phase Nb0.8δ+CoSb with intrinsic Nb vacancies, following the 18-electron rule, possesses improved thermoelectric performance, and the slight change in the content of Nb vacancies has a profound effect on the thermoelectric properties. The carrier concentration can be controlled by varying the Nb deficiency, and the optimization of the thermoelectric properties can be realized within the narrow pure phase region. Benefiting from the elimination of impurity phases and the optimization of carrier concentration, thermoelectric performance is remarkably enhanced by ≈100% and a maximum zT of 0.9 is achieved in Nb0.83CoSb at 1123 K. Here, this work expands the family of half-Heusler thermoelectric materials and opens a new avenue for searching for nominal 19-electron half-Heusler compounds with intrinsic vacancies as promising thermoelectric materials.},
doi = {10.1002/adfm.201705845},
journal = {Advanced Functional Materials},
issn = {1616-301X},
number = 9,
volume = 28,
place = {United States},
year = {2018},
month = {1}
}

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