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Elastic bending modulus of single-layer molybdenum disulfide (MoS2): finite thickness effect
Open accessAbstract
We derive, from an empirical interaction potential, an analytic formula for the elastic bending modulus of single-layer MoS2 (SLMoS2). By using this approach, we do not need to define or estimate a thickness value for SLMoS2, which is important due to the substantial controversy in defining this value for two-dimensional or ultrathin nanostructures such as graphene and nanotubes. The obtained elastic bending modulus of 9.61 eV in SLMoS2 is significantly higher than the bending modulus of 1.4 eV in graphene, and is found to be within the range of values that are obtained using thin shell theory with experimentally obtained values for the elastic constants of SLMoS2. This increase in bending modulus as compared to monolayer graphene is attributed, through our analytic expression, to the finite thickness of SLMoS2. Specifically, while each monolayer of S atoms contributes 1.75 eV to the bending modulus, which is similar to the 1.4 eV bending modulus of monolayer graphene, the additional pairwise and angular interactions between out of plane Mo and S atoms contribute 5.84 eV to the bending modulus of SLMoS2.
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Cites
Two-dimensional gas of massless Dirac fermions in graphene
Novoselov, K. S., Geim, A. K., Morozov, S. V., Jiang, D., Katsnelson, M. I., Grigorieva, I. V., Dubonos, S. V., & Firsov, A. A. (2005) · Nature · doi:10.1038/nature04233 · Cited by 21,611
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
Chhowalla, M., Shin, H. S., Eda, G., Li, L.-J., Loh, K. P., & Zhang, H. (2013) · Nature Chemistry · doi:10.1038/nchem.1589 · Cited by 10,034
Cited by
Environmental Applications of 2D Molybdenum Disulfide (MoS2) Nanosheets
Wang, Z., & Mi, B. (2017) · Environmental Science & Technology · doi:10.1021/acs.est.7b01466 · Cited by 914
Metadata
- Authors
- Jiang, J.-W., Qi, Z., Park, H. S., & Rabczuk, T.
- Venue
- Nanotechnology
- Publisher
- IOP Publishing
- Published
- 2013-10-02
- Volume
- 24
- Issue
- 43
- Pages
- 435705
- ISSN
- 0957-4484 (ISSN-L)
- 1361-6528
- OpenAlex
- W2036910250
- Cited by
- 181
- References
- 2
- FWCI
- 5.62
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Jiang, J.-W., Qi, Z., Park, H. S., & Rabczuk, T. (2013). Elastic bending modulus of single-layer molybdenum disulfide (MoS2): finite thickness effect. Nanotechnology. https://doi.org/10.1088/0957-4484/24/43/435705
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