TY - JOUR AB - In this work, the graphene/?-SiO 2(0001) interface is calculated using density functional theory. On the oxygen-terminated SiO 2 surface, atomic structure reconstruction occurs at the graphene/SiO 2 interface to eliminate the dangling bonds. The interface interaction is 77 meV/C atom, which indicates that van der Waals force dominates the interaction, but it is stronger than the force between the graphene layers in graphite. The distance between graphene and the SiO 2 surface is 2.805 Å, which is smaller than the 3.4 Å interlayer distance of graphite. In addition, the SiO 2 substrate induces p-type doping in graphene and opens a small gap of 0.13 eV at the Dirac point of graphene, which is desirable for electronic device applications. © 2012 Ao et al. AU - Ao, Z AU - Jiang, M AU - Wen, Z AU - Li, S DA - 2012/03/08 DO - 10.1186/1556-276X-7-158 JO - Nanoscale Research Letters PY - 2012/03/08 TI - Density functional theory calculations on graphene/?-SiO 2(0001) interface VL - 7 Y1 - 2012/03/08 Y2 - 2024/03/29 ER -