title: The effects of electronic field on the atomic structure of the graphene/α-SiO(2) interface.
abstract: The atomic structure of the graphene/α-SiO(2)(0001) interface under electric field F with different intensities is studied using the density functional theory method. Simulation results indicate that the atomic structure of the graphene/α-SiO(2)(0001) interface has only a slight change under the condition of F≤0.02 au. However, the distance between substrate and graphene d(0) changes evidently. Moreover, as F reaches 0.03 au, the formation of a C-O covalent bond on the interface is present, which would destroy the excellent electronic properties of graphene. Thus, there exists a maximum for F in application of the graphene.
authors.affiliation: Key Laboratory of Automobile Materials, Ministry of Education, Jilin University, Changchun 130025, People's Republic of China. Department of Materials Science and Engineering, Jilin University, Changchun 130025, People's Republic of China.
authors.forename: Z M
authors.initials: ZM
authors.lastname: Ao
authors.forename: W T
authors.initials: WT
authors.lastname: Zheng
authors.forename: Q
authors.initials: Q
authors.lastname: Jiang