A tunable and sizable bandgap of a g-C3N4/graphene/g-C3N4 sandwich heterostructure: a van der Waals density functional study

作者：Dong, M. M.; He, C.^*; Zhang, W. X.^*

来源：Journal of Materials Chemistry C, 2017, 5(15): 3830-3837.

DOI：10.1039/c7tc00386b

• GRAPHITIC CARBON NITRIDE
• ELECTRONIC-PROPERTIES
• GRAPHENE
• STABILITY
• TRANSITION

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.

• 出版日期2017-4-21
• 单位西安交通大学; 长安大学