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Electronic Structure of Twisted Bilayers of Graphene/MoS2 and MoS2/MoS2
Abstract
Vertically stacked two-dimensional multilayer structures have become a promising prototype for functionalized nanodevices due to their wide range of tunable properties. In this paper we performed first-principles calculations to study the electronic structure of nontwisted and twisted bilayers of hybrid graphene/MoS 2 (Gr/MoS 2 ) and MoS 2 /MoS 2 . Both twisted bilayers of Gr/MoS 2 and MoS 2 /MoS 2 show significant differences in band structures from the nontwisted ones with the appearance of the crossover between direct and indirect band gap and gap variation. More interestingly, the band structures of twisted Gr/MoS 2 with different rotation angles are very different from each other, while those of MoS 2 /MoS 2 are very similar. The variation of band structure with rotation angle in Gr/MoS 2 is, indeed, originated from the misorientation-induced lattice strain and the sensitive band-strain dependence of MoS 2 .
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Cited by
Band Alignment and Minigaps in Monolayer MoS2-Graphene van der Waals Heterostructures
Pierucci, D., Henck, H., Avila, J., Balan, A., Naylor, C. H., Patriarche, G., Dappe, Y. J., Silly, M. G., Sirotti, F., Johnson, A. T. C., et al. (2016) · Nano Letters · doi:10.1021/acs.nanolett.6b00609 · Cited by 365
Cai, Y., Zhang, G., & Zhang, Y.-W. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b02634 · Cited by 354
WS2 moiré superlattices derived from mechanical flexibility for hydrogen evolution reaction
Xie, L., Wang, L., Zhao, W., Liu, S., Huang, W., & Zhao, Q. (2021) · Nature Communications · doi:10.1038/s41467-021-25381-1 · Cited by 240
Metadata
- Authors
- Wang, Z., Chen, Q., & Wang, J.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-02-23
- Volume
- 119
- Issue
- 9
- Pages
- 4752-4758
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2313307029
- Cited by
- 169
- References
- 0
- FWCI
- 6.00
- Type
- journal article
- Language
- en
- Open access
- closed
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- Wang, Z., Chen, Q., & Wang, J. (2015). Electronic Structure of Twisted Bilayers of Graphene/MoS2 and MoS2/MoS2. The Journal of Physical Chemistry C. https://doi.org/10.1021/jp507751p
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