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Stability, optoelectronic and thermal properties of two-dimensional Janus α -Te2S.
- Source :
-
Nanotechnology . 5/21/2022, Vol. 33 Issue 21, p1-9. 9p. - Publication Year :
- 2022
-
Abstract
- Motivated by recent progress in the two-dimensional (2D) materials of group VI elements and their experimental fabrication, we have investigated the stability, optoelectronic and thermal properties of Janus α -Te2S monolayer using first-principles calculations. The phonon dispersion and MD simulations confirm its dynamical and thermal stability. The moderate band gap (âĽ1.5 eV), ultrahigh carrier mobility (âĽ103 cm2 Vâ'1 sâ'1), small exciton binding energy (0.26 eV), broad optical absorption range and charge carrier separation ability due to potential difference (Î" V  = 1.07 eV) on two surfaces of Janus α -Te2S monolayer makes it a promising candidate for solar energy conversion. We propose various type-II heterostructures consisting of Janus α -Te2S and other transition metal dichalcogenides for solar cell applications. The calculated power conversion efficiencies of the proposed heterostructures, i.e. α -Te2S/T-PdS2, α -Te2S/BP and α -Te2S/H-MoS2 are âĽ21%, âĽ19% and 18%, respectively. Also, the ultralow value of lattice thermal conductivity (1.16 W mâ'1 Kâ'1) of Janus α -Te2S makes it a promising material for the fabrication of next-generation thermal energy conversion devices. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09574484
- Volume :
- 33
- Issue :
- 21
- Database :
- Academic Search Index
- Journal :
- Nanotechnology
- Publication Type :
- Academic Journal
- Accession number :
- 155604247
- Full Text :
- https://doi.org/10.1088/1361-6528/ac54e1