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Sadollah Ebrahimi

Sadollah Ebrahimi

Academic rank: Assistant Professor
ORCID:
Education: PhD.
ScopusId: 16177495900
HIndex:
Faculty: Faculty of Science
Address: Department of Physics (Room 533)
Phone: 087-33664600 (4269)

Research

Title
A molecular dynamics investigation of buckling behaviour of hydrogenated graphene
Type
JournalPaper
Keywords
hydrogen adsorption, graphene nanoribbon, molecular dynamics simulation, buckling
Year
2014
Journal Molecular Simulation
DOI
Researchers Abbas Montazeri ، Sadollah Ebrahimi ، Hashem Rafii-Tabar

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.