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Issue 15, 2017
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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

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Abstract

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.

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

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Publication details

The article was received on 23 Jan 2017, accepted on 20 Mar 2017 and first published on 20 Mar 2017


Article type: Paper
DOI: 10.1039/C7TC00386B
Citation: J. Mater. Chem. C, 2017,5, 3830-3837
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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

    M. M. Dong, C. He and W. X. Zhang, J. Mater. Chem. C, 2017, 5, 3830
    DOI: 10.1039/C7TC00386B

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