The system ＂substrate--graphene island on its surface＂ was modeled with using semi-empirical quantum chemistry methods for various substrates. Such system imitates the graphene nucleation and growth when using CVD ...The system ＂substrate--graphene island on its surface＂ was modeled with using semi-empirical quantum chemistry methods for various substrates. Such system imitates the graphene nucleation and growth when using CVD （chemical vapor deposition） technique. Herewith the carbon atoms can enter the island from both the substrate and the bulk of the CVD reactor. The authors show that for a wide island size range the carbon nanowalls placed perpendicularly as to the substrate is the most favorable configuration. But a transfer to this configuration is only possible providing two conditions are realized： the CVD technique is stimulated by plasma, when a strong electrical field exists near the substrate surface and preliminary decomposition of carbon carrier is realized in the bulk of the CVD-reactor.展开更多
文摘The system ＂substrate--graphene island on its surface＂ was modeled with using semi-empirical quantum chemistry methods for various substrates. Such system imitates the graphene nucleation and growth when using CVD （chemical vapor deposition） technique. Herewith the carbon atoms can enter the island from both the substrate and the bulk of the CVD reactor. The authors show that for a wide island size range the carbon nanowalls placed perpendicularly as to the substrate is the most favorable configuration. But a transfer to this configuration is only possible providing two conditions are realized： the CVD technique is stimulated by plasma, when a strong electrical field exists near the substrate surface and preliminary decomposition of carbon carrier is realized in the bulk of the CVD-reactor.
