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Sadollah Ebrahimi

Sadollah Ebrahimi

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

Research

Title
Molecular dynamics study of a new mechanism for ripple formation on graphene nanoribbons at very low temperatures based on H2 physisorption
Type
JournalPaper
Keywords
Graphene nanoribbon, Molecular dynamics simulation, Hydrogen adsorption, Ripple formation
Year
2013
Journal SOLID STATE COMMUNICATIONS
DOI
Researchers Sadollah Ebrahimi ، Abbas Montazeri ، Hashem Rafii-Tabar

Abstract

Hydrogen adsorption on graphene sheets is a promising new area of research. The physical interactions between adsorbed molecules and the graphene surface could drastically influence the morphology of the graphene sheet, producing a rippled structure even at very low temperatures when the contribution of thermal agitations is quite negligible. We have employed a series of very accurate molecular dynamics(MD) simulations to reveal the effect of H2 molecules adsorption on graphene nano ribbons (GNRs). To this end,the dependence of the degree of ripple-type distortion of the surface on the H2 coverage is examined. Furthermore, we have also considered the connection between the critical value of the H2 adsorption and the maximum induced deformation on the graphene structure. Overall, our findings provide crucial information for the performance of hydrogenated graphene, especially at very low temperatures.