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).

DOI: 10.1063/1.4941526

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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