期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 55, 期 16, 页码 4938-4942出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201508325
关键词
DFT calculations; hydrogen generation; photocatalysis; photo-generated electrons and holes; semi-conductive MOFs
资金
- 973 Program [2012CB821702]
- NSFC [21571107, 21421001, 11304161]
- SFC of Tianjin [15JCZDJC37700, 13JCYBJC41100]
- SFC of China
- Fundamental Research Funds for the Central Universities 111 project [B12015]
- MOE Innovation Team [IRT13022, IRT-13R30]
Based on the newly designed ligand 4-(3,5-dicarboxyphenyl)-4,2:6,4-terpyridine (DCTP), a unique semi-conductive 3D framework {[CuCu2(DCTP)(2)]NO(3)1.5DMF}(n) (1) with a narrow band gap of 2.1eV, was obtained and structurally characterized. DFT calculations with van de Waals correction employed to explore the electronic structure of 1, clearly revealed its semi-conductive behavior. Furthermore, we found that 1 exhibits a superior band alignment with water to produce hydrogen and degrade organic pollutants. Without adding any photosensitizers, 1 displays an efficiently photocatalytic hydrogen production in water based on the photo-generated electrons under UV/Vis light. 1 also exhibits excellent photo-degradation of methyl blue under visible-light owing to the strong oxidization of excited holes. It is the first example of MOFs with doubly photocatalytic activities related to photo-generated electrons and holes, respectively.
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