Abstract Highly-crystalline BiOCl samples exhibiting hollow microsphere like morphology with exposed (110) crystal facets have been synthesized in the present work. The as-synthesized BiOCl samples were characterized in detail by several sophisticated techniques for proper understanding and subsequent analysis of the phase formation, nature of the chemical bonds existing within the samples, composition, morphology and different properties. Variations in synthesis conditions by varying the synthesis temperature and time duration were performed to compare the changes in phase formation, morphology and catalytic activity of the material. The samples showed effective degradation of toxic Rhodamine B dye under both visible light and UV light irradiation. A detailed mechanism of the photocatalytic activity has been proposed by extensive first principles calculations. The hollow microsphere like morphology along with exposed (110) crystal facets proved beneficial for the superior catalytic activity mediated by dye sensitization under visible light.

中文翻译：

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具有优异可见光诱导染料敏化光催化活性的空心微球氯氧化铋及其理论见解

摘要 目前的工作已经合成了具有空心微球状形态且具有暴露的 (110) 晶面的高结晶 BiOCl 样品。合成的 BiOCl 样品通过几种复杂的技术进行了详细表征，以便正确理解和随后分析相形成、样品中存在的化学键的性质、组成、形态和不同的性质。通过改变合成温度和持续时间来改变合成条件，以比较材料的相形成、形态和催化活性的变化。样品在可见光和紫外光照射下均能有效降解有毒的罗丹明 B 染料。通过广泛的第一性原理计算提出了光催化活性的详细机制。空心微球状形态以及暴露的 (110) 晶面证明有利于在可见光下由染料敏化介导的优异催化活性。