Molecular Dynamics Simulation of Graphene Growth at Initial Stage on Ni(100) Facet for Low Flux C Energy by CVD
I Syuhada and A Rosikhin and A Fikri and FA Noor and T Winata, 6TH NANOSCIENCE AND NANOTECHNOLOGY SYMPOSIUM (NNS2015), 1710, 030060 (2016).
In this study, atomic simulation for graphene growth on Ni (100) at initial stage via chemical vapor deposition method has been developed. The C-C atoms interaction was performed by Terasoff potential mean while Ni-Ni interaction was specified by EAM (Embedded Atom Modified). On the other hand, we used very simple interatomic potential to describe Ni-C interaction during deposition process. From this simulation, it shows that the formation of graphene is not occurs through a combined deposition mechanism on Ni substrate but via C segregation. It means, Ni-C amorphous is source for graphene growth when cooling down of Ni substrate. This result is appropriate with experiments, tight binding and quantum mechanics simulation.
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