The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption
WANG Tao1, GUO Qing1**, AO Zhi-Min2**, LIU Yan1, WANG Wen-Bo1, SHENG Kuang1, YU Bin3,1
1College of Electrical Engineering, Zhejiang University, Hangzhou 130027 2School of Materials Science and Engineering, University of New South Wales, Sydney, NSW 2052, Australia 3College of Nanoscale Science and Engineering, State University of New York, Albany, New York 12203, USA
The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption
WANG Tao1, GUO Qing1**, AO Zhi-Min2**, LIU Yan1, WANG Wen-Bo1, SHENG Kuang1, YU Bin3,1
1College of Electrical Engineering, Zhejiang University, Hangzhou 130027 2School of Materials Science and Engineering, University of New South Wales, Sydney, NSW 2052, Australia 3College of Nanoscale Science and Engineering, State University of New York, Albany, New York 12203, USA
摘要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.
Abstract：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.
WANG Tao;GUO Qing**;AO Zhi-Min**;LIU Yan;WANG Wen-Bo;SHENG Kuang;YU Bin;
. The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption[J]. 中国物理快报, 2011, 28(11): 117302-117302.
WANG Tao, GUO Qing**, AO Zhi-Min**, LIU Yan, WANG Wen-Bo, SHENG Kuang, YU Bin,
. The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption. Chin. Phys. Lett., 2011, 28(11): 117302-117302.
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2011, Vol. 28 
