• myGriffith
    • Staff portal
    • Contact Us⌄
      • Future student enquiries 1800 677 728
      • Current student enquiries 1800 154 055
      • International enquiries +61 7 3735 6425
      • General enquiries 07 3735 7111
      • Online enquiries
      • Staff phonebook
    View Item 
    •   Home
    • Griffith Research Online
    • Journal articles
    • View Item
    • Home
    • Griffith Research Online
    • Journal articles
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Browse

  • All of Griffith Research Online
    • Communities & Collections
    • Authors
    • By Issue Date
    • Titles
  • This Collection
    • Authors
    • By Issue Date
    • Titles
  • Statistics

  • Most Popular Items
  • Statistics by Country
  • Most Popular Authors
  • Support

  • Contact us
  • FAQs
  • Admin login

  • Login
  • Effect of Structural Phases on Mechanical Properties of Molybdenum Disulfide

    File version
    Version of Record (VoR)
    Author(s)
    Yengejeh, Sadegh Imani
    Liu, Junxian
    Kazemi, Seyedeh Alieh
    Wen, William
    Wang, Yun
    Griffith University Author(s)
    Wang, Yun
    Wen, William Y.
    Year published
    2020
    Metadata
    Show full item record
    Abstract
    Molybdenum disulfide (MoS2) is a promising layer-structured material for use in many applications due to its tunable structural and electronic properties in terms of its structural phases. Its performance including efficiency and durability is often dependent on its mechanical properties. To understand the effects of the structural phase on its mechanical properties, a comparative study on the mechanical properties of bulk 2H, 3R, 1T, and 1T′ MoS2 was conducted using the first-principles density functional theory. Since considerable applications of MoS2 are developed through strain engineering, the impact of the external ...
    View more >
    Molybdenum disulfide (MoS2) is a promising layer-structured material for use in many applications due to its tunable structural and electronic properties in terms of its structural phases. Its performance including efficiency and durability is often dependent on its mechanical properties. To understand the effects of the structural phase on its mechanical properties, a comparative study on the mechanical properties of bulk 2H, 3R, 1T, and 1T′ MoS2 was conducted using the first-principles density functional theory. Since considerable applications of MoS2 are developed through strain engineering, the impact of the external pressure on its mechanical properties was also considered. Our results suggest a strong relationship between the mechanical properties of MoS2 and the structural symmetry of its crystal. Accordingly, the impacts of the external pressure on the mechanical properties of MoS2 also greatly vary with respect to the structural phases. Among all of the considered phases, the 2H and 3R MoS2 have a larger bulk modulus, Young’s modulus, shear modulus, and microhardness due to their higher stability. Conversely, 1T and 1T′ MoS2 are less strong. As such, 1T and 1T′ MoS2 can be a better candidate for strain engineering.
    View less >
    Journal Title
    ACS Omega
    Volume
    5
    Issue
    11
    DOI
    https://doi.org/10.1021/acsomega.9b04360
    Copyright Statement
    © 2020 American Chemical Society. This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
    Subject
    Environmental sciences
    Chemical engineering
    Materials engineering
    Science & Technology
    Physical Sciences
    Chemistry, Multidisciplinary
    Chemistry
    TOTAL-ENERGY CALCULATIONS
    Publication URI
    http://hdl.handle.net/10072/395303
    Collection
    • Journal articles

    Footer

    Disclaimer

    • Privacy policy
    • Copyright matters
    • CRICOS Provider - 00233E
    • TEQSA: PRV12076

    Tagline

    • Gold Coast
    • Logan
    • Brisbane - Queensland, Australia
    First Peoples of Australia
    • Aboriginal
    • Torres Strait Islander