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Understanding of the interface of Co/graphene is essential for applications of graphene-based devices, as well as in the process of graphene synthesis. In this paper, the Co/graphene interface, including five structures of bilayer graphene (BLG) on Co (111) surface with bilayer or monolayer BN buffer sheets, is investigated by using density functional theory calculations. The corresponding atomic...
Cu/graphene contact is the key interface for graphene-based devices. In the paper, first-principle calculations are used to investigate the detailed interface atomic and electronic structures and Mulliken charge populations of monolayer, bilayer, trilayer grapheme/Cu (111) interface. The Fermi level is pining by the Cu substrate and shifts due to the n-type doping of graphene.
AB-stacked bilayer graphene sheet (BLG) under the electric field is investigated by ab initio calculation in the paper. The interlayer distance between the two layers, band structures, density of sates, and atomic charges of the system are investigated in the presence of different electric fields normal to the BLG. AB-stacked BLG is able to tune the bandgap into 0.234eV while the external electronic...
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