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A tunable and sizable bandgap of a g-C3N4/graphene/g-C3N4 sandwich heterostructure:a van der Waals density functional study
发布时间：2025-04-30
- 论文名称：
- A tunable and sizable bandgap of a g-C3N4/graphene/g-C3N4 sandwich heterostructure:a van der Waals density functional study
- 发表刊物：
- J. Mater. Chem. C
- 摘要：
- 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.
- 合写作者：
- M. M. Dong, C. He * and W. X. Zhang
- 卷号：
- 5
- 页面范围：
- 5, 3830
- 是否译文：
- 否
- 发表时间：
- 2017-04-14
