151. Thermoelectric performance of monolayer Bi2Te2Se of ultra low lattice thermal conductivity.
- Author
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Xu, Bin, Song, Liangong, Peng, Gaohui, Zhang, Jing, Ma, Shanshan, Wang, Yusheng, and Wang, Yuanxu
- Subjects
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THERMAL conductivity , *BOLTZMANN'S equation , *TRANSPORT theory , *MONOMOLECULAR films , *DENSITY functional theory , *ELECTRONIC structure - Abstract
The electronic structure and thermoelectric properties of monolayer Bi 2 Te 2 Se were studied by density functional theory and semi-classical Boltzmann transport equation. The band gap with TB-mBJ can be improved for monolayer Bi 2 Te 2 Se. Monolayer Bi 2 Te 2 Se have ultra-low thermal conductivity comparing with other well-known two-dimensional materials. The monolayer Bi 2 Te 2 Se can improve electrical conductivities. ZT increases with increasing temperature for monolayer Bi 2 Te 2 Se. Comparing to GGA, TB-mBJ has larger ZT value in p-type doping. Monolayer Bi 2 Te 2 Se have larger ZT comparing with other well-known two-dimensional materials. Our calculated results show that our calculation greatly underestimates ZT value, therefore, monolayer Bi 2 Te 2 Se should have a higher ZT value. • Monolayer Bi 2 Te 2 Se have ultra-low thermal conductivity. • The monolayer Bi 2 Te 2 Se can improve electrical conductivities. • TB-mBJ can't reduce the electronic thermal conductivity. • Comparing to GGA, TB-mBJ has larger ZT value in p-type doping. • Monolayer Bi 2 Te 2 Se have larger ZT comparing with other well-known two-dimensional materials. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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