title: Semiconducting electronic property of graphene adsorbed on (0001) surfaces of SiO2.
abstract: First-principles total energy calculations are performed to investigate the energetics and electronic structures of graphene adsorbed on both an oxygen-terminated SiO2 (0001) surface and a fully hydroxylated SiO2 (0001) surface. We find that there are several stable adsorption sites for graphene on both O-terminated and hydroxylated SiO2 surfaces. The binding energy in the most stable geometry is found to be 15 meV per C atom, indicating a weak interaction between graphene and SiO2 (0001) surfaces. We also find that the graphene adsorbed on SiO2 is a semiconductor irrespective of the adsorption arrangement due to the variation of on-site energy induced by the SiO2 substrate.
authors.affiliation: National Institute of Advanced Industrial Science and Technology, Tsukuba 305-8568, Japan.
authors.forename: Thanh Cuong
authors.initials: TC
authors.lastname: Nguyen
authors.forename: Minoru
authors.initials: M
authors.lastname: Otani
authors.forename: Susumu
authors.initials: S
authors.lastname: Okada