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

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.
Authors:
;  [1] ;  [2]
  1. School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
  2. Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)
Publication Date:
OSTI Identifier:
22391535
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1657; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
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