Growth of bi- and tri-layered graphene on silicon carbide substrate via molecular dynamics simulation

Journal Article · Fri Apr 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4915202· OSTI ID:22391535

Min, Tjun Kit; Yoon, Tiem Leong ^[1]; Lim, Thong Leng ^[2]

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1. School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2. Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

Molecular dynamics (MD) simulation with simulated annealing method is used to study the growth process of bi- and tri-layered graphene on a 6H-SiC (0001) substrate via molecular dynamics simulation. Tersoff-Albe-Erhart (TEA) potential is used to describe the inter-atomic interactions among the atoms in the system. The formation temperature, averaged carbon-carbon bond length, pair correlation function, binding energy and the distance between the graphene formed and the SiC substrate are quantified. The growth mechanism, graphitization of graphene on the SiC substrate and characteristics of the surface morphology of the graphene sheet obtained in our MD simulation compare well to that observed in epitaxially grown graphene experiments and other simulation works.

• OSTI ID: 22391535
• Journal Information: AIP Conference Proceedings, Vol. 1657, Issue 1; Conference: PERFIK 2014: National Physics Conference 2014, Kuala Lumpur (Malaysia), 18-19 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ANNEALING
BINDING ENERGY
BOND LENGTHS
COMPARATIVE EVALUATIONS
COMPUTERIZED SIMULATION
CORRELATION FUNCTIONS
CRYSTAL GROWTH
EPITAXY
GRAPHENE
GRAPHITIZATION
INTERATOMIC FORCES
MOLECULAR DYNAMICS METHOD
MORPHOLOGY
POTENTIALS
SHEETS
SILICON CARBIDES
SUBSTRATES
SURFACES