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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 0.363eV.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.With its demonstrated unique electron transport properties,graphene has becomes one of the research hot spots with great potential in replacing silicon for future-generation nanoscale electronic devices.[1-3]Among graphene derivatives,AB-stacking bilayer graphene (BLG) exhibits fantastic properties.For example,the IBM research group successfully demonstrated a BLG-based transistor with a working frequency from 24.7 to 100GHz and highlighted suppressed electronic noise in devices.[4-6] With one additional layer added on single-layer graphene,BLG has a completely different band structure.However,pristine BLG still suffers from the same zero-bandgap (Eg) issue as single-layer graphene,hampering the implementation of logic switch devices with sufficient onto-off current ratios.