A new understanding of the photocatalytic mechanism of the direct Z-scheme g-C 3 N 4 /TiO 2 heterostructure
Wuhan University of Technology · Huaibei Normal University · +1 more institution
Abstract
Constructing a TiO2 based heterostructure is a very effective strategy for enhancing photocatalytic performance. The details of the electronic structure, interfacial interaction, and photogenerated carrier separation are important for explaining the photocatalytic properties of a heterostructure. Herein, the density of states, charge distribution, and the band offset of the monolayer g-C3N4/TiO2 heterojunction are systematically investigated through the hybrid DFT method. Results indicated that the valence band offset and the conduction band offset of the g-C3N4/TiO2 heterostructure were 0.40 and 0.18 eV, respectively. Interfacial interaction made the TiO2 surface with negative charge, whereas the g-C3N4…
Citation impact
- FWCI
- 18.09
- Percentile
- 100%
- References
- 63
Authors
3Topics & keywords
- Heterojunction
- Photocatalysis
- Band offset
- Materials science
- Electron
- Electric field
- Charge carrier
- Monolayer