[7p-C16-1~18] 17.2 Graphene

[7p-C16-13] Nano-second Order Molecular Dynamics Simulations for Graphene Growth Mechanism on SiC Surface - Formation of Six Membered Rings

So Takamoto¹, 〇Takahiro Yamasaki^2,3, Jun Nara^2,3, Takahisa Ohno^2,3, Chioko Kaneta⁴, Satoshi Izumi¹ (1.Univ. of Tokyo, 2.NIMS, 3.MARCEED, 4.Fujitsu Lab)

Keywords:Graphene, Classical MD Simulation

In this study, nanosecond order molecular dynamics simulation was conducted for graphene growth on the SiC surface, with the aim of forming the 6-membered rings. When a C cluster was formed, a mixed structure of 5, 6, and 7-membered rings was observed. As the annealing was carried out, the ratio of the 6-membered ring increased and the C cluster turned into a flat structure.