期刊
JOURNAL OF MATERIALS CHEMISTRY C
卷 7, 期 34, 页码 10652-10662出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9tc02876e
关键词
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资金
- National Key RAMP
- D Program of China [2016YFA0200400]
- National Natural Science Foundation of China [11504123, 51627805]
We investigated the electronic structure and the electrical and thermal transport properties of SiSb, GeSb and SnSb monolayers by first-principles methods. All three are indirect bandgap semiconductors. Transport calculations show that they have large n-type Seebeck coefficients and thermoelectric power factors at optimal doping levels, especially in SiSb. The intrinsic lattice thermal conductivity was explored and SiSb monolayer in particular was found to have a very low thermal conductivity (4.75 W m(-1) K-1 at 300 K). This combined with the electrical properties suggest a high ZT value, perhaps as much as ZT = 2. Importantly, the nature of the material suggests it is a model system for understanding the effects of dimensional reduction on thermoelectric properties.
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