A Semi-Conductive Copper-Organic Framework with Two Types of Photocatalytic Activity

作者：Wu, Zhi-Lei; Wang, Chang-Hong; Zhao, Bin^*; Dong, Jie; Lu, Feng; Wang, Wei-Hua; Wang, Wei-Chao^*; Wu, Guang-Jun; Cui, Jian-Zhong; Cheng, Peng

来源：Angewandte Chemie - International Edition, 2016, 55(16): 4938-4942.

DOI：10.1002/anie.201508325

• DFT calculations
• hydrogen generation
• photocatalysis
• photo-generated electrons and holes
• semi-conductive MOFs

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.

• 出版日期2016-4-11
• 单位南开大学; 天津大学