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论文期刊

论文标题    A tunable and sizable bandgap of a g-C3N4/graphene/g-C3N4 sandwich heterostructure:a van der Waals density functional study
作者    M. M. Dong, C. He * and W. X. Zhang
发表/完成日期    2017-04-14
期刊名称    J. Mater. Chem. C
期卷    5
相关文章    jmcc2017 (1).pdf   
论文简介    The structural and electronic properties of a g-C3N4/graphene/g-C3N4 (g-C3N4/SLG/g-C3N4) sandwich heterostructure have been systematically investigated using density functional theory with van der Waals corrections. The results indicate that the band gap of the g-C3N4/SLG/g-C3N4 sandwich heterostructure can be opened to 106 meV without strain. Applying strain is a promising way to tune the electronic properties of a sandwich heterostructure. After applying uniaxial strain, the heterostructure can withstand larger tensile strain than compression strain without damaging the structure and the band gap is more easily increased by the X-direction strain. When the 5% X-direction strain is applied, the band gap could be opened to 525 meV and meanwhile maintain a high carrier mobility. These electronic properties may provide a potential application in nanodevices.
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