Cu vacancy engineering of cage-compound BaCu2Se2: Realization of temperature-dependent hole concentration for high average thermoelectric figure-of-merit

Article


Weng, Tianyao, Li, Z., Li, Yang, Hu, Yao, Guo, Kai, Liu, Tao, Zhang, Jianxin, Lyu, Wanyu, Xi, Lili, Yang, Xinxin, Jiang, Ying, Yang, Jiong, Zhang, Jiye and Luo, Jun Luo. 2022. "Cu vacancy engineering of cage-compound BaCu2Se2: Realization of temperature-dependent hole concentration for high average thermoelectric figure-of-merit." Chemical Engineering Journal. 437 (Part 1). https://doi.org/10.1016/j.cej.2022.135302
Article Title

Cu vacancy engineering of cage-compound BaCu2Se2: Realization of temperature-dependent hole concentration for high average thermoelectric figure-of-merit

ERA Journal ID3854
Article CategoryArticle
AuthorsWeng, Tianyao, Li, Z., Li, Yang, Hu, Yao, Guo, Kai, Liu, Tao, Zhang, Jianxin, Lyu, Wanyu, Xi, Lili, Yang, Xinxin, Jiang, Ying, Yang, Jiong, Zhang, Jiye and Luo, Jun Luo
Journal TitleChemical Engineering Journal
Journal Citation437 (Part 1)
Article Number135302
Number of Pages9
Year2022
PublisherElsevier
Place of PublicationNetherlands
ISSN1385-8947
1873-3212
Digital Object Identifier (DOI)https://doi.org/10.1016/j.cej.2022.135302
Web Address (URL)https://www.sciencedirect.com/science/article/abs/pii/S1385894722008063
Abstract

Vacancy engineering offers an alternative route to aliovalent and interstitial doping for optimization of the carrier concentration in thermoelectric materials. For the wide-bandgap semiconductor BaCu2Se2, the Cu vacancy is dynamically stable; this feature can be rationally manipulated to maximize the thermoelectric figure of merit zT. In this work, we show that at room temperature, Cu-deficient BaCu2−xSe2 samples exhibit increased hole effective mass and mobility, attributed to the energy band modulation, which are favorable for improved electrical transport properties. More importantly, the defect energy level resulting from the Cu vacancies continually contributes holes at high temperature, thereby allowing the hole concentration to approach an optimal concentration. This effect leads to an increase of the power factors over a wide temperature range. The artificial reduction of the Cu content in BaCu2Se2 results in the strengthened point-defect scattering, suppressing the lattice thermal conductivity. This strategy allows simultaneous optimization of the electrical and thermal transport properties, with a thermoelectric figure of merit zT = 1.08 achieved for BaCu1.94Se2 at 823 K, which is 38% higher than that of stoichiometric BaCu2Se2. Within the measured temperature range, the average zT value for BaCu1.94Se2 is 0.494, which is 52.9% higher than that of BaCu2Se2.

KeywordsBaCu2Se2; Copper vacancy ; Hole concentration ; Defect energy level ; Point defect scattering
Public Notes

Files associated with this item cannot be displayed due to copyright restrictions.

Byline AffiliationsShanghai University, China
Guangzhou University, China
Centre for Future Materials
Permalink -

https://research.usq.edu.au/item/z02y3/cu-vacancy-engineering-of-cage-compound-bacu2se2-realization-of-temperature-dependent-hole-concentration-for-high-average-thermoelectric-figure-of-merit

Download files

  • 16
    total views
  • 32
    total downloads
  • 0
    views this month
  • 4
    downloads this month

Export as

Related outputs

Advances in printing techniques for thermoelectric materials and devices
Hong, Min, Sun, Shuai, Lyu, Wanyu, Li, Meng, Liu, Weidi, Shi, Xiao-Lei and Chen, Zhi-Gang. 2023. "Advances in printing techniques for thermoelectric materials and devices." Soft Science. 3 (3).
Solvothermally silver doping boosting the thermoelectric performance of polycrystalline Bi2Te3
Chen, Wen-Yi, Shi, Xiao-Lei, Yang, Qishuo, Li, Meng, Lyu, Wanyu, Liu, Ting, Cao, Tianyi, Hu, Boxuan, Liu, Weidi, Sun, Shuai, Mao, Yuanqing, Dargusch, Matthew, Zou, Jin and Chen, Zhi-Gang. 2023. "Solvothermally silver doping boosting the thermoelectric performance of polycrystalline Bi2Te3." Chemical Engineering Journal. 475. https://doi.org/10.1016/j.cej.2023.146428
Design and optimization of high-performance GeTe-based thermoelectric materials
Lyu, Wanyu. 2023. Design and optimization of high-performance GeTe-based thermoelectric materials. PhD by Publication Doctor of Philosophy. University of Southern Queensland. https://doi.org/10.26192/z0141
Condensed point defects enhance thermoelectric performance of rare-earth Lu-doped GeTe
Lyu, Wan-Yu, Liu, Wei-Di, Li, Meng, Shi, Xiao-Lei, Hong, Min, Cao, Tianyi, Guo, Kai, Luo, Jun, Zou, Jin and Chen, Zhi-Gang. 2023. "Condensed point defects enhance thermoelectric performance of rare-earth Lu-doped GeTe." Journal of Materials Science and Technology. 151, pp. 227-233. https://doi.org/10.1016/j.jmst.2023.01.004
The effect of rare earth element doping on thermoelectric properties of GeTe
Lyu, Wan-Yu, Liu, Wei-Di, Li, Meng, Hong, Min, Guo, Kai, Luo, Jun, Xing, Juanjuan, Sun, Qiang, Xu, Shengduo, Zou, Jin and Chen, Zhi-Gang. 2022. "The effect of rare earth element doping on thermoelectric properties of GeTe." Chemical Engineering Journal. 446 (Part 1), pp. 1-6. https://doi.org/10.1016/j.cej.2022.137278
Optimal array alignment to deliver high performance in flexible conducting polymer-based thermoelectric devices
Xu, Shengduo, Li, Meng, Hong, Min, Yang, Lei, Sun, Qiang, Sun, Shuai, Lyu, Wanyu, Dargusch, Matthew, Zou, Jin and Chen, Zhi-Gang. 2022. "Optimal array alignment to deliver high performance in flexible conducting polymer-based thermoelectric devices." Journal of Materials Science and Technology. 124, pp. 252-259. https://doi.org/10.1016/j.jmst.2022.03.007
Optimizing Electronic Quality Factor toward High Performance Ge1−x−yTaxSbyTe Thermoelectrics: The Role of Transition Metal Doping
Li, Meng, Sun, Qiang, Xu, Sheng-Duo, Hong, Min, Lyu, Wan-Yu, Liu, Ji-Xing, Wang, Yuan, Dargusch, Matthew, Zou, Jin and Chen, Zhi-Gang. 2021. "Optimizing Electronic Quality Factor toward High Performance Ge1−x−yTaxSbyTe Thermoelectrics: The Role of Transition Metal Doping." Advanced Materials. 33 (40), pp. 1-8. https://doi.org/10.1002/adma.202102575
Enhancing thermoelectric performance of SrFBiS2−xSex via band engineering and structural texturing
Huang, Hai, Lin, Chen, Li, Shijing, Guo, Kai, Zhang, Jianxin, Lyu, Wanyu, Zhang, Jiye, Xing, Juanjuan, Jiang, Ying, Yang, Jiong and Luo, Jun. 2022. "Enhancing thermoelectric performance of SrFBiS2−xSex via band engineering and structural texturing." Journal of Materiomics. 8 (2), pp. 302-310. https://doi.org/10.1016/j.jmat.2021.09.006
Rare-Earth Nd Inducing Record-High Thermoelectric Performance of (GeTe)85(AgSbTe2)15
Lyu, Wan Yu, Hong, Min, Liu, Wei Di, Li, Meng, Sun, Qiang, Xu, Sheng Duo, Zou, Jin and Chen, Zhi-Gang. 2021. "Rare-Earth Nd Inducing Record-High Thermoelectric Performance of (GeTe)85(AgSbTe2)15." Energy Material Advances. 2021, pp. 1-8. https://doi.org/10.34133/2021/2414286
Versatile Vanadium Doping Induces High Thermoelectric Performance in GeTe via Band Alignment and Structural Modulation
Sun, Qiang, Li, Meng, Shi, Xiao-Lei, Xu, Sheng-Duo, Liu, Wei-Di, Hong, Min, Lyu, Wan‐yu, Yin, Yu, Dargusch, Matthew, Zou, Jin and Chen, Zhi-Gang. 2021. "Versatile Vanadium Doping Induces High Thermoelectric Performance in GeTe via Band Alignment and Structural Modulation." Advanced Energy Materials. 11 (20), pp. 1-9. https://doi.org/10.1002/aenm.202100544
Establishing the Golden Range of Seebeck Coefficient for Maximizing Thermoelectric Performance
Hong, Min, Lyu, Wangyu, Wang, Yuan, Zou, Jin and Chen, Zhi-Gang. 2020. "Establishing the Golden Range of Seebeck Coefficient for Maximizing Thermoelectric Performance." Journal of the American Chemical Society. 142 (5), pp. 2672-2681. https://doi.org/10.1021/jacs.9b13272
Crystal symmetry induced structure and bonding manipulation boosting thermoelectric performance of GeTe
Li, Meng, Hong, Min, Tang, Xiao, Sun, Qiang, Lyu, Wan-Yu, Xu, Sheng-Duo, Kou, Liang-Zhi, Dargusch, Matthew, Zou, Jin and Chen, Zhi-Gang. 2020. "Crystal symmetry induced structure and bonding manipulation boosting thermoelectric performance of GeTe." Nano Energy. 73, pp. 1-10. https://doi.org/10.1016/j.nanoen.2020.104740
Cd substitution in Zintl phase Eu5In2Sb6 enhancing the thermoelectric performance
Lv, Wanyu, Yang, Chunhui, Lin, Jianwei, Hu, Xinyi, Guo, Kai, Yang, Xinxin, Luo, Jun and Zhao, Jing-Tai. 2017. "Cd substitution in Zintl phase Eu5In2Sb6 enhancing the thermoelectric performance." Journal of Alloys and Compounds. 726, pp. 618-622. https://doi.org/10.1016/j.jallcom.2017.08.033
Improvement of the Accuracy of InSAR Image Co-Registration Based On Tie Points - A Review
Zou, Weibao, Li, Yan, Li, Zhilin and Ding, Xiaoli. 2009. "Improvement of the Accuracy of InSAR Image Co-Registration Based On Tie Points - A Review." Sensors. 9 (2), pp. 1259-1281. https://doi.org/10.3390/s90201259
Mechanical and thermal properties of chicken feather fiber/PLA green composites
Cheng, Sha, Lau, Kin-Tak, Liu, Tao, Zhao, Yong-Qing, Lam, Pou-Man and Yin, Yansheng. 2009. "Mechanical and thermal properties of chicken feather fiber/PLA green composites ." Composites Part B: Engineering. 40 (7), pp. 650-654. https://doi.org/10.1016/j.compositesb.2009.04.011
The electrochemistry corrosion behavior of Fe3Al-type intermetallic with super-hydrophobic surfaces
Liu, Tao, Lau, Kin-Tak, Chen, Shougang, Cheng, Sha, He, Tian and Yin, Yansheng. 2010. "The electrochemistry corrosion behavior of Fe3Al-type intermetallic with super-hydrophobic surfaces." Materials and Manufacturing Processes. 25 (5), pp. 298-301. https://doi.org/10.1080/10426911003747717
Microscopical observation of the marine bacterium vibrio natriegeus growth on metallic corrosion
Cheng, Sha, Lau, Kin-Tak, Chen, Shougang, Chang, Xueting, Liu, Tao and Yin, Yansheng. 2010. "Microscopical observation of the marine bacterium vibrio natriegeus growth on metallic corrosion." Materials and Manufacturing Processes. 25 (5), pp. 293-297. https://doi.org/10.1080/10426911003747642