The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption
The Tunable Bandgap of AB-Stacked Bilayer Graphene on SiO2 with H2O Molecule Adsorption
复制标题
SiO2 上 AB 堆叠双层石墨烯 H2O 分子吸附的可调谐带隙
DOI：
10.1088/0256-307x/28/11/117302
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发表时间：
2011
影响因子：
3.5
通讯作者：
Yu Bin
中科院分区：
文献类型：
--
作者：
Liu Yan;Wang Wen-Bo;Sheng Kuang;Yu Bin
采用密度泛函理论研究了水分子存在下AB型双层石墨烯的原子和电子结构。对于独立的BLG，带隙被打开到0.101 eV，单个H2O分子吸附在其表面上。完全悬浮的BLG对H2O吸附物敏感，这破坏了BLG晶格对称性并打开了能隙。而一个单一的H2O分子吸附在BLG表面与SiO2基板，带隙加宽到0.363 eV。H2O分子吸附和氧化物衬底对BLG带隙开放都有贡献。用二维碳纳米结构中的电荷转移过程解释了这一现象。
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.
DOI：
10.1088/0031-9112/33/4/035
发表时间：
1982-04
期刊：
Physics Bulletin
影响因子：
--
作者：
P. Dobson
通讯作者：
P. Dobson