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- W4224295366 abstract "The thermoelectric (TE) properties of the bulk and monolayer Sb2TeSeS have been studied by the first-principles calculations and the Boltzmann Transport theory. Due to the greater band gap, the absolute values of Seebeck coefficient for TB-mBJ potential at the vicinity of Fermi level are larger than that for GGA approach. It is found that the electronic thermal conductivity of the layered structure of Sb2TeSeS is relatively lower than that of the bulk compounds. It is stable for monolayer Sb2TeSeS on account of the phonon structure without imaginary frequency, and the phonon dispersion is comparatively flatter. It is expected the ultra-low lattice thermal conductivity, which is verified by the result of the calculated lattice thermal conductivity. For monolayer Sb2TeSeS, the maximum value of figure of merit, which is procured from p-type doping within the reasonable range of carrier concentration, is larger than the optimal ZT value of other well-known materials. Therefore, p-type doping of monolayer Sb2TeSeS is a potential candidate for TE device applications." @default.
- W4224295366 created "2022-04-26" @default.
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- W4224295366 date "2022-06-01" @default.
- W4224295366 modified "2023-10-03" @default.
- W4224295366 title "The prediction of electronic and thermoelectric performance of bulk and monolayer Sb2TeSeS" @default.
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- W4224295366 doi "https://doi.org/10.1016/j.matchemphys.2022.126153" @default.
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