Ternary Ag 2Se 1−xTex: A Near-Room-Temperature Thermoelectric Material with a Potentially High Figure of Merit
Article
Article Title | Ternary Ag 2Se 1−xTex: A Near-Room-Temperature Thermoelectric Material with a Potentially High Figure of Merit |
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ERA Journal ID | 1525 |
Article Category | Article |
Authors | Chen, Jie, Yuan, Hualei, Zhu, Yu-Ke, Zheng, Kun, Ge, Zhen-Hua, Tang, Jun, Zhou, Dali, Yang, Lei and Chen, Zhi-Gang |
Journal Title | Inorganic Chemistry: including bioinorganic chemistry |
Journal Citation | 60 (18), pp. 14165-14173 |
Number of Pages | 9 |
Year | 2021 |
Publisher | American Chemical Society |
Place of Publication | United States |
ISSN | 0020-1669 |
1520-510X | |
Digital Object Identifier (DOI) | https://doi.org/10.1021/acs.inorgchem.1c01563 |
Web Address (URL) | https://pubs.acs.org/doi/10.1021/acs.inorgchem.1c01563 |
Abstract | Discovering high-performance near-room-temperature thermoelectric materials is extremely imperative to widen the practical application in thermoelectric power generation and refrigeration. Here, ternary Ag2Se1-xTex (x = 0.1, 0.2, 0.3, 0.4, and 0.5) materials are prepared via the wet-mechanical alloying and spark plasma sintering process to investigate their near-room-temperature thermoelectric properties. From density functional theory calculation and single-parabolic-band modeling study, we found that the reduced contribution of Se 4p orbitals to the total density of states decreases the carrier effective mass with increasing Te content, which should enhance the theoretically maximum zT. These calculation results are also verified by the experimental results. Meanwhile, complex microstructures including dislocations, nanograins, high-density boundaries, TeSe substitution, lattice distortions, and localized strain have been observed in ternary Ag2Se1-xTex. These complex microstructures strengthen phonon scattering and in turn lead to ultralow lattice thermal conductivity in the range of 0.21-0.31 W m-1 K-1 in ternary Ag2Se1-xTex at 300 K. Although the increased deformation potential suppresses the carrier mobility, benefiting from the engineered band structures and ultralow lattice thermal conductivity, a high zT of >1 can be potentially obtained in the ternary Ag2Se1-xTex with appropriate carrier concentration. This study indicates that ternary Ag2Se1-xTex is a promising candidate for near-room-temperature thermoelectric applications. |
Keywords | Carrier concentration; Density functional theory; Hall mobility; Hole mobility; Microstructure; Sintering; Thermoelectric energy conversion; Thermoelectric equipment; Thermoelectricity |
Contains Sensitive Content | Does not contain sensitive content |
ANZSRC Field of Research 2020 | 400402. Chemical and thermal processes in energy and combustion |
Public Notes | Files associated with this item cannot be displayed due to copyright restrictions. |
Byline Affiliations | Sichuan University, China |
Beijing University of Technology, China | |
Kunming University of Science and Technology, China | |
Centre for Future Materials |
https://research.usq.edu.au/item/zq504/ternary-ag-2se-1-xtex-a-near-room-temperature-thermoelectric-material-with-a-potentially-high-figure-of-merit
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