| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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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
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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
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WANG Tao, GUO Qing, AO Zhi-Min et al 2011 Chin. Phys. Lett. 28 117302 |
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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.
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73.22.-f 87.80. St 85.35.-p
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Received: 14 June 2011
Published: 30 October 2011
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