Graphene/g-C3N4 bilayer: considerable band gap opening and effective band structure engineering

• DOI: 10.1039/c3cp54592j
• Publication Date: 2014-01-06T11:32:29Z
• Authors: Xinru Li; Ying Dai; Yandong Ma; Shenghao Han; Baibiao Huang
• Keywords: Bilayer graphene; Microelectronics; Charge carrier

The layered graphene/g-C3N4 composites show high conductivity, electrocatalytic performance and visible light response have potential applications in microelectronic devices photocatalytic technology. In the present work, stacking patterns correlations between electronic structures related properties of bilayers are investigated systematically by means first-principles calculations. Our results indicate that band gap can be up to 108.5 meV, which is large enough for opening at room temperature. calculated charge density difference unravels redistribution drives interlayer transfer from graphene g-C3N4. Interestingly, investigation also shows external electric field tune effectively. research demonstrates on g-C3N4 with a tunable carrier mobility may provide novel way fabricating high-performance graphene-based nanodevices.