The tunable bandgap of AB-stacked bilayer graphene on SiO<inf>2</inf> with H<inf>2</inf>O molecule adsorption

Publication Type:
Journal Article
Chinese Physics Letters, 2011, 28 (11)
Issue Date:
Filename Description Size
Wang_2011_Chinese_Phys._Lett._28_117302.pdfPublished Version1.72 MB
Adobe PDF
Full metadata record
The atomic and electronic structures of AB-stacking bilayer graphene (BLG) in the presence of H2O molecules are investigated by density functional theory calculations. For free-standing BLG, the bandgap is opened to 0.101 eV with a single H2O molecule adsorbed on its surface. The perfectly suspended BLG is sensitive to H2O adsorbates, which break the BLG lattice symmetry and open an energy gap. While a single H2O molecule is adsorbed on the BLG surface with a SiO2 substrate, the bandgap widens to 0.363 eV. Both the H2O molecule adsorption and the oxide substrate contribute to the BLG bandgap opening. The phenomenon is interpreted with the charge transfer process in 2D carbon nanostructures. © 2011 Chinese Physical Society and IOP Publishing Ltd.
Please use this identifier to cite or link to this item: