Modulating the band gap of a boron nitride bilayer with an external electric field for photocatalyst
- Department of Physics and Information Technology, Baoji University of Arts and Sciences, Baoji 721016 (China)
By virtue of first principle calculations, we propose an approach to reduce the band gap of layered semiconductors through the application of external electric fields for photocatalysis. As a typical example, the band gap of a boron nitride (BN) bilayer was reduced in the range from 4.45 eV to 0.3 eV by varying the external electric field strength. More interestingly, it is found that the uppermost valence band and the lowest conduction band are dominated by the N-p{sub z} and B-p{sub z} from different layers of the BN sheet, which suggests a wonderful photoexcited electron and hole separation system for photocatalysis. Our results imply that the strong external electric field can present an abrupt polarized surface.
- OSTI ID:
- 22596703
- Journal Information:
- Journal of Applied Physics, Vol. 119, Issue 19; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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