Elastic bending modulus of single-layer molybdenum disulfide (MoS 2): Finite thickness effect

Jin Wu Jiang, Zenan Qi, Harold S. Park, Timon Rabczuk

Research output: Contribution to journalArticle

98 Citations (Scopus)

Abstract

We derive, from an empirical interaction potential, an analytic formula for the elastic bending modulus of single-layer MoS2 (SLMoS 2). 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.

Original languageEnglish
Article number435705
JournalNanotechnology
Volume24
Issue number43
DOIs
Publication statusPublished - 2013 Nov 1

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Elastic Modulus
Graphene
Molybdenum
Monolayers
Nanotubes
Atoms
Nanostructures
Elastic constants
molybdenum disulfide

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Electrical and Electronic Engineering
  • Mechanical Engineering
  • Mechanics of Materials
  • Materials Science(all)

Cite this

Elastic bending modulus of single-layer molybdenum disulfide (MoS 2) : Finite thickness effect. / Jiang, Jin Wu; Qi, Zenan; Park, Harold S.; Rabczuk, Timon.

In: Nanotechnology, Vol. 24, No. 43, 435705, 01.11.2013.

Research output: Contribution to journalArticle

Jiang, Jin Wu ; Qi, Zenan ; Park, Harold S. ; Rabczuk, Timon. / Elastic bending modulus of single-layer molybdenum disulfide (MoS 2) : Finite thickness effect. In: Nanotechnology. 2013 ; Vol. 24, No. 43.
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