期刊
NANO ENERGY
卷 76, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.nanoen.2020.105084
关键词
Thermoelectric; SnSb2Te4; Band convergence; Lattice anharmonicity; Defects
类别
资金
- National Natural Science Foundation of China [11674040, 11904348 11604032, 51472036, 51672270]
- Fundamental Research Funds for the Central Universities [106112016CDJZR308808]
- Key Research Program of Frontier Sciences, CAS [QYZDB-SSW-SLH016]
Seeking a material with intrinsically low lattice thermal conductivity is crucial for screening high-performance thermoelectric (TE) materials. Here, the TE properties of SnSb2(Te1-xSex)4 (0 <= x <= 0.25) samples are systematically investigated for the first time. An intrinsically ultralow lattice thermal conductivity (similar to 0.56 W m(-1) K-1 at 320 K and similar to 0.46 W m(-1) K-1 at 720 K) has been observed in SnSb2Te4, which can be ascribed to the weak chemical bonding as well as the bond anharmonicity verified by first-principles calculations. Furthermore, alloying with Se enables the remarkable increase in the Seebeck coefficients, resulting from the optimized carrier concentrations due to the enlarged formation energy of intrinsic SnSb-type antisite defects along with the simultaneous enhancement of density-of-states effective mass from the convergence of multiple carrier pockets. As a result, a peak zT value of 0.5 at 720 K and a significant improvement in average zT (similar to 200%) in SnSb2(Te0.75Se0.25)(4) are achieved. This work not only demonstrates the potential of SnSb2Te4-based compounds for practical TE applications, but also provides an insightful guidance to improve TE performance by defect and electronic band engineering.
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