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首页> 外文期刊>Chemistry: A European journal >Composition dependence of the photocatalytic activities of BiOCl _(1-x)Br_x solid solutions under visible light
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Composition dependence of the photocatalytic activities of BiOCl _(1-x)Br_x solid solutions under visible light

机译：BiOCl_（1-x）Br_x固溶体在可见光下的光催化活性的成分依赖性

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摘要

We prepared BiOCl_(1-x)Br_x (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, BiOCl_(0.5)Br_(0.5). Under visible-light irradiation BiOCl_(1-x)Br_x 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 BiOCl _(1-x)Br_x, indicating that the enhanced photocatalytic activity of BiOCl_(1-x)Br_x with respect to those of BiOCl and BiOBr originates from the trapping of photogenerated carriers. Our electronic structure calculations for BiOCl_(0.5)Br_(0.5) with the anion (O~(2-), Cl~-, Br~-) and cation (Bi~(3+)) vacancies suggest that the trapping of photogenerated carriers is caused most likely by Bi~(3+) cation vacancies, which generate hole states above the conduction band maximum.
机译：我们制备了BiOCl_（1-x）Br_x（x = 0-1）固溶体，并通过X射线衍射，漫反射光谱，扫描电子显微镜，拉曼光谱，光电流和光催化活性测量来表征其结构，形态和光催化性能。以及通过BiOCl，BiOBr，BiOCl_（0.5）Br_（0.5）的密度泛函理论计算。在可见光照射下，BiOCl_（1-x）Br_x比BiOCl和BiOBr表现出更强的光催化活性，该活性在x = 0.5时达到最大值，并随着x向1增大或向0减小而逐渐减小。与BiOCl_（1-x）Br_x的光生电流密切相似，表明BiOCl_（1-x）Br_x相对于BiOCl和BiOBr的光催化活性增强源自捕获光生载流子。我们对具有阴离子（O〜（2-），Cl〜-，Br〜-）和阳离子（Bi〜（3+））空位的BiOCl_（0.5）Br_（0.5）的电子结构进行计算表明，捕获了光生载流子这是由Bi〜（3+）阳离子空位引起的，它会在导带最大值以上产生空穴状态。

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