| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 65043 | Journal of Molecular Catalysis A: Chemical | 2015 | 6 Pages |
•BiF3 is for the first time as a photo catalyst.•BiF3 has a highly positive VB, which favors to form more hydroxyl radicals.•The separation efficiency of charges can be improved by the high electronegativity fluorine.
Herein, we, for the first time, introduce BiF3 as a new photo catalyst. The ab initio density functional theory (DFT) calculation has been carried out to insight the electronic structures of BiF3. It is amazing that BiF3 has a highly positive valence band and a wide direct band gap of 3.94 eV. It is further found that the high-electronegativity fluorine (χ = 10.41 eV) significantly contributes to a highly positive valence band. Under UV-light irradiation (λ < 420 nm), the photo activity of BiF3 is 2.1 times higher than that of commercial rutile TiO2 for the degradation of rhodamine B (RhB). It is expected that the photo catalysts would be greatly enriched by the discovery of BiF3 as a new, efficient photo catalyst.
Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (143 K)Download as PowerPoint slideBiF3 with a high positive valence band is discovered as a new, efficient photocatalyst.
