Property Analysis of SiC-Crystals Grafted with Graphene Using Molecular Dynamics Simulations

Silicon carbide and graphene possess extraordinary chemical physical properties. Here, these different systems are linked the changes in structural dynamic properties investigated. For simulations performed a classical molecular (MD) approach was used. In this approach, layer (N = 240 atoms) grafted at distances on top of 6H-SiC structure 2400 onto 3C-SiC 1728 atoms). The between 6H 1.0, 1.3 1.5 Å 2.0, 2.3, 2.5 Å. Each system has been equilibrated room temperature until no further relaxation observed. combination with proves to be more stable compared 3C-SiC. This can seen well determined energies. Pair distribution functions were influenced slightly by due steric energetic changes. becomes clear from small shifts C-C distances. Interactions as bonds SiC lead fact that shoulders high-frequency SiC-peaks visible spectra same time peaks completely absent.