Structure‐Activity Relationship of Defective Metal‐Based Photocatalysts for Water Splitting: Experimental and Theoretical Perspectives
Structure‐Activity Relationship of Defective Metal‐Based Photocatalysts for Water Splitting: Experimental and Theoretical Perspectives
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DOI：
10.1002/advs.201900053
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发表时间：
2019-03
期刊：
影响因子：
15.1
通讯作者：
Yong-Chao Zhang;Nisha Afzal;Lun Pan;Xiangwen Zhang;Jijun Zou
中科院分区：
文献类型：
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作者：
Yong-Chao Zhang;Nisha Afzal;Lun Pan;Xiangwen Zhang;Jijun Zou
光催化分解水是利用太阳能生产氢能的一种有前途的方法，开发高效的光催化剂具有挑战性。缺陷工程被证明是一种非常有用的策略，以提高金属基光催化剂的光催化性能，然而，缺陷的重要作用仍然是模糊的。本文全面综述了用于水裂解的点缺陷金属基光催化剂，重点是了解缺陷对光学吸附，电荷分离和迁移以及表面反应的无序影响。综述了缺陷结构的可控合成和调控策略对提高光催化性能的影响，讨论了缺陷结构的表征技术和密度泛函理论计算方法，并从分子水平分析了缺陷引起的催化剂电子结构变化及其对光催化活性的最终影响。最后，概述了开发更有效的有缺陷的金属基光催化剂的挑战。这一工作有助于进一步理解缺陷结构在光催化反应过程中的基础作用，指导高效、低成本光催化剂的合理设计和制备。
Photocatalytic water splitting is promising for hydrogen energy production using solar energy and developing highly efficient photocatalysts is challenging. Defect engineering is proved to be a very useful strategy to promote the photocatalytic performance of metal‐based photocatalysts, however, the vital role of defects is still ambiguous. This work comprehensively reviews point defective metal‐based photocatalysts for water splitting, focusing on understanding the defects' disorder effect on optical adsorption, charge separation and migration, and surface reaction. The controllable synthesis and tuning strategies of defective structure to improve the photocatalytic performance are summarized, then the characterization techniques and density functional theory calculations are discussed to unveil the defect structure, and analyze the defects induced electronic structure change of catalysts and its ultimate effect on the photocatalytic activity at the molecular level. Finally, the challenge in developing more efficient defective metal‐based photocatalysts is outlined. This work may help further the understanding of the fundamental role of defect structure in the photocatalytic reaction process and guide the rational design and fabrication of highly efficient and low‐cost photocatalysts.