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A mild one-step method for enhancing optical absorption of amine-functionalized metal-organic frameworks
Applied Catalysis B: Environment and Energy ( IF 22.1 ) Pub Date : 2018-01-04 , DOI: 10.1016/j.apcatb.2018.01.007
Shan Gao , Wanglai Cen , Qian Li , Jieyuan Li , Yunfeng Lu , Haiqiang Wang , Zhongbiao Wu

Metal-organic frameworks (MOFs) are of significant interest for photocatalysis using visible light. Here we discuss HOMO/LUMO gap modification of amine-functionalized MOFs through a mild one-step method. DFT calculation reveals the formation of covalent bond between TiO2 and the amine from NH2-MIL-125, narrowing the HOMO/LUMO gap of NH2-MIL-125 by raising its HOMO level. After CdS quantum dots (QDs) deposited on this [email protected]2 core-shell structure, this composite catalyst can act as an efficient visible-light-driven catalyst for NO removal. The integral coating of amorphous TiO2 onto MOF octahedrons constructs a mesoporous protection shell upon MOF frameworks, providing a superior accommodation for embedding CdS QDs. Integrating MOF with TiO2 also reduces undesirable electron-hole recombination by facilitating charge transfer to amorphous TiO2. Possible mechanism of photocatalytic oxidation of NO over CdS/NH2[email protected]2 catalysts is proposed. This work illustrates the possibility of tuning the optical response of NH2-MOFs under very mild condition, and demonstrates the potential usage of MOF-based heterostructured photocatalysts.



中文翻译:

温和的一步法增强胺官能化金属-有机骨架的光吸收

金属有机骨架(MOF)对于使用可见光进行光催化具有重大意义。在这里,我们讨论通过温和的一步法对胺官能化MOF的HOMO / LUMO缺口修饰。DFT计算揭示了共价键的二氧化钛之间形成2和胺选自NH 2 -MIL-125,缩小NH的HOMO / LUMO间隙2通过提高其HOMO能级-MIL-125。在CdS量子点(QDs)沉积在[受电子邮件保护的] 2核-壳结构上之后,该复合催化剂可以作为有效的可见光驱动型催化剂,用于脱除NO。无定形TiO 2的整体涂层MOF八面体在MOF框架上构造了介孔保护壳,为嵌入CdS QD提供了更好的容纳空间。通过促进将电荷转移到非晶态TiO 2中,将MOF与TiO 2集成还可以减少不良的电子-空穴复合。提出了在CdS / NH 2 [受电子邮件保护] 2催化剂上光催化氧化NO的可能机理。这项工作说明了在非常温和的条件下调节NH 2 -MOF的光学响应的​​可能性,并证明了基于MOF的异结构光催化剂的潜在用途。

更新日期:2018-01-04
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