Abstract
Band structure engineering is an effective way to improve the performance of photocatalysis. Herein, layered oxyhalides, BaBiO2X (X = Cl, Br, and I), with single halogen layers were synthesized by using molten salt synthesis method. Density functional theory (DFT) calculation reveals that the valance band maximum (VBM) of BaBiO2X mainly consists of O 2p orbitals, not halogen p orbitals (Cl-3p, Br-4p, and I-5p), which means that this X1 oxyhalide owns the stability against self-degradation by photogenerated holes during the photocatalytic process. Simultaneously, with the increasing of atomic number from BaBiO2Cl to BaBiO2I, the band gap (Eg) decreases from 3.523 eV to 2.777 eV. Eventually, BaBiO2I exhibits the highest photocatalytic RhB degradation performance among all samples, mostly owning to the enhanced light absorption and improved separation and migration efficiency of photogenerated carriers. This study provides a new idea for designing bismuth-based photocatalysts by band engineering to solve environmental pollution.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.