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Electronic and thermoelectric properties of few-layer transition metal dichalcogenides
Open accessAbstract
The electronic and thermoelectric properties of one to four monolayers of MoS2, MoSe2, WS2, and WSe2 are calculated. For few layer thicknesses, the near degeneracies of the conduction band K and Σ valleys and the valence band Γ and K valleys enhance the n-type and p-type thermoelectric performance. The interlayer hybridization and energy level splitting determine how the number of modes within kBT of a valley minimum changes with layer thickness. In all cases, the maximum ZT coincides with the greatest near-degeneracy within kBT of the band edge that results in the sharpest turn-on of the density of modes. The thickness at which this maximum occurs is, in general, not a monolayer. The transition from few layers to bulk is discussed. Effective masses, energy gaps, power-factors, and ZT values are tabulated for all materials and layer thicknesses.
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Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
Wang, Q. H., Kalantar-Zadeh, K., Kis, A., Coleman, J. N., & Strano, M. S. (2012) · Nature Nanotechnology · doi:10.1038/nnano.2012.193 · Cited by 16,374
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Liu, G.-B., Xiao, D., Yao, Y., Xu, X., & Yao, W. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00301b · Cited by 698
Recent Progress of Two-Dimensional Thermoelectric Materials
Li, D., Gong, Y., Chen, Y., Lin, J., Khan, Q., Zhang, Y., Li, Y., Zhang, H., & Xie, H. (2020) · Nano-Micro Letters · doi:10.1007/s40820-020-0374-x · Cited by 429
Wang, S., Ren, C., Tian, H., Yu, J., & Sun, M. (2018) · Physical Chemistry Chemical Physics · doi:10.1039/c8cp00808f · Cited by 423
Wang, S., Tian, H., Ren, C., Yu, J., & Sun, M. (2018) · Scientific Reports · doi:10.1038/s41598-018-30614-3 · Cited by 282
Xie, Y., Chou, T.-M., Yang, W., He, M., Zhao, Y., Li, N., & Lin, Z.-H. (2017) · Semiconductor Science and Technology · doi:10.1088/1361-6641/aa62f2 · Cited by 71
Metadata
- Authors
- Wickramaratne, D., Zahid, F., & Lake, R. K.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2014-03-28
- Volume
- 140
- Issue
- 12
- Pages
- 124710-124710
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2053568924
- Cited by
- 385
- References
- 2
- FWCI
- 14.89
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Wickramaratne, D., Zahid, F., & Lake, R. K. (2014). Electronic and thermoelectric properties of few-layer transition metal dichalcogenides. The Journal of Chemical Physics. https://doi.org/10.1063/1.4869142
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