Article ID Journal Published Year Pages File Type
5488163 Chinese Journal of Physics 2017 27 Pages PDF
Abstract
The photocatalytic mechanism of BiOI with an oxygen vacancy and iodine self-doping is investigated by studying their structural, electronic and optical properties. The results of the first-principle calculations indicate that the utilization of the visible light region is broadened, and thus the photocatalytic performance is improved, via introducing an oxygen vacancy or I dopant. Among them, I-Bi doped BiOI shows the best photocatalytic performance, and it is also the preferred one of the three structures due to its better stability. The occurrence of I-Bi or I-I interactions in the original double iodine layer along with the introduction of I dopant leads to a planar localization of the photocatalytic mechanism. Then it is expected that the photo-generated carriers will transfer to the catalyst surface more easily; the photocatalytic activity of BiOI relies on the planar localization to a great degree.
Related Topics
Physical Sciences and Engineering Physics and Astronomy Atomic and Molecular Physics, and Optics
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