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IPM
30
YEARS OLD

“School of Nano-Sciences”

Paper   IPM / Nano-Sciences / 13706
   School of Nano Science
  Title: A molecular dynamics investigation of buckling behaviour of hydrogenated graphene
  Author(s):
1 . Abbas Montazeri
2 . Saadollah Ebrahimi
3 . Hashem Rafii Tabar
  Status: Published
  Journal: Molecular Simulation
  No.: 14
  Vol.: 41
  Year: 2015
  Pages: 1212-1218
  Publisher(s): Taylor & Francis
  Supported by: IPM
  Abstract:
Molecular dynamics simulations have been performed to characterise the stability behaviour of graphene nanoribbons having different hydrogen coverage, subject to a uniaxial compressive load. The temperature is set at a very low value to circumvent the contribution of thermal agitations. The results show that hydrogen coverage promotes to a rapid drop in the strain of buckling onset due to the effects of easy rotation of newly unsupported sp3 bonds. Furthermore, we have also found a critical value of the hydrogen adsorption above which the declining trend in the stability behaviour of hydrogenated graphene nanoribbons is reversed.

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