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
Citation:
Chinese Physics Letters, 2011, 28 (11)
Issue Date:
2011-11-01
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The atomic and electronic structures of AB-stacking bilayer graphene (BLG) in the presence of H 2 O molecules are investigated by density functional theory calculations. For free-standing BLG, the bandgap is opened to 0.101 eV with a single H 2 O molecule adsorbed on its surface. The perfectly suspended BLG is sensitive to H 2 O adsorbates, which break the BLG lattice symmetry and open an energy gap. While a single H 2 O molecule is adsorbed on the BLG surface with a SiO 2 substrate, the bandgap widens to 0.363 eV. Both the H 2 O 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.
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