期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 17, 期 34, 页码 9342-9349出版社
WILEY-BLACKWELL
DOI: 10.1002/chem.201100952
关键词
bismuth; cation vacancies; local structures; photooxidation; solid-state solution
资金
- National Basic Research Program of China (973 Program) [2007CB613302]
- National Natural Science Foundation of China [21007031, 20973102, 50721002]
- Independent Innovation Foundation of Shandong University (IIFSDU) [2009TS039]
- Office of Basic Energy Sciences, Division of Materials Sciences, U.S. Department of Energy [DE-FG02-86ER45259]
- NERSC center
- HPC center of NCSU
We prepared BiOCl1-xBrx (x=0-1) solid solutions and characterized their structures, morphologies, and photocatalytic properties by X-ray diffraction, diffuse reflectance spectroscopy, scanning electron microscopy, Raman spectroscopy, photocurrent and photocatalytic activity measurements and also by density functional theory calculations for BiOCl, BiOBr, BiOCl0.5Br0.5. Under visible-light irradiation BiOCl1-xBrx exhibits a stronger photocatalytic activity than do BiOCl and BiOBr, with the activity reaching the maximum at x=0.5 and decreasing gradually as x is increased toward 1 or decreased toward 0. This trend is closely mimicked by the photogenerated current of BiOCl1-xBrx, indicating that the enhanced photocatalytic activity of BiOCl1-xBrx with respect to those of BiOCl and BiOBr originates from the trapping of photogenerated carriers. Our electronic structure calculations for BiOCl0.5Br0.5 with the anion (O2-, Cl, Br) and cation (Bi3+) vacancies suggest that the trapping of photogenerated carriers is caused most likely by Bi3+ cation vacancies, which generate hole states above the conduction band maximum.
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