Issue 36, 2015

Structural, electronic and optical properties of a hybrid triazine-based graphitic carbon nitride and graphene nanocomposite

Abstract

The interfacial effect on the structural, electronic and optical properties of a hybrid triazine-based graphitic carbon nitride and graphene nanocomposite is calculated using the first-principles method. It reveals the favorable stacking pattern utilizing the ab initio thermodynamics approach. The electronic band structure presents that the high carrier mobility is maintained in a hybrid g-CN/G nanocomposite, and a moderate band gap is opened by the interactions between g-C3N4 and graphene. Moreover, the opened band gap can be tuned regularly with the interfacial distance. Based on the analysis of the imaginary part of dielectric function of the graphene, the g-C3N4 monolayer and the hybrid g-CN/G nanocomposite, it is found that the hybrid g-CN/G nanocomposite displays enhanced and extended optical absorption compared to simplex graphene and the g-C3N4 monolayer.

Graphical abstract: Structural, electronic and optical properties of a hybrid triazine-based graphitic carbon nitride and graphene nanocomposite

Supplementary files

Article information

Article type
Paper
Submitted
02 Jun 2015
Accepted
12 Aug 2015
First published
13 Aug 2015

Phys. Chem. Chem. Phys., 2015,17, 23613-23618

Author version available

Structural, electronic and optical properties of a hybrid triazine-based graphitic carbon nitride and graphene nanocomposite

J. Cui, S. Liang, X. Wang and J. Zhang, Phys. Chem. Chem. Phys., 2015, 17, 23613 DOI: 10.1039/C5CP03173G

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