The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO_(2) with H_(2)O Molecule Adsorption

汪涛; 郭清; 敖志敏; 刘艳; 王文博; 盛况; 俞滨

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The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO_(2) with H_(2)O Molecule Adsorption

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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 SiO2 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.

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来源
《中国物理快报：英文版》 |2011年第11期|214-217|共4页
作者
汪涛; 郭清; 敖志敏; 刘艳; 王文博; 盛况; 俞滨;
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作者单位

College of Electrical Engineering;

Zhejiang University;

Hangzhou 130027;

School of Materials Science and Engineering;

University of New South Wales;

Sydney;

NSW 2052;

Australia;

College of Nanoscale Science and Engineering;

State University of New York;

Albany;

New York 12203;

USA;

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原文格式 PDF
正文语种 chi
中图分类物理化学（理论化学）、化学物理学;
关键词
surface; adsorbed; Adsorption;

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The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO_(2) with H_(2)O Molecule Adsorption

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