Interaction between graphene and SiO2 surface

Abstract

With first-principles DFT calculations, the interaction between graphene and SiO2 surface has been analyzed by constructing the different configurations based on {\alpha}-quartz and cristobalite structures. The single layer graphene can stay stably on SiO2 surface is explained based on the general consideration of configuration structures of SiO2 surface. It is also found that the oxygen defect in SiO2 surface can shift the Fermi level of graphene down which opens out the mechanism of hole-doping effect of graphene absorbed on SiO2 surface observed in experiments.