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Modulating the band gap of a boron nitride bilayer with an external electric field for photocatalyst
Ist Teil von
Journal of applied physics, 2016-05, Vol.119 (19)
Ort / Verlag
Melville: American Institute of Physics
Erscheinungsjahr
2016
Link zum Volltext
Quelle
AIP Journals Complete
Beschreibungen/Notizen
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-pz and B-pz 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.