title: A Semi-Conductive Copper-Organic Framework with Two Types of Photocatalytic Activity.
abstract: Based on the newly designed ligand 4'-(3,5-dicarboxyphenyl)-4,2':6',4''-terpyridine (DCTP), a unique semi-conductive 3D framework {[Cu(Ι)Cu(ΙΙ)2(DCTP)2]NO3⋅1.5 DMF}n (1) with a narrow band gap of 2.1 eV, 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.
authors.affiliation: Department of Chemistry, Key Laboratory of Advanced Energy Material Chemistry, Nankai University and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, 300071, China.|Department of Chemistry, Tianjin University, Tianjin, 300072, China.
authors.forename: Zhi-Lei
authors.initials: ZL
authors.lastname: Wu
authors.affiliation: College of Electronic Information and Optical Engineering, Nankai University, Tianjin, 300071, China.
authors.forename: Chang-Hong
authors.initials: CH
authors.lastname: Wang
authors.affiliation: Department of Chemistry, Key Laboratory of Advanced Energy Material Chemistry, Nankai University and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, 300071, China. zhaobin@nankai.edu.cn.
authors.forename: Bin
authors.initials: B
authors.lastname: Zhao
authors.affiliation: Department of Chemistry, Key Laboratory of Advanced Energy Material Chemistry, Nankai University and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, 300071, China.
authors.forename: Jie
authors.initials: J
authors.lastname: Dong
authors.affiliation: College of Electronic Information and Optical Engineering, Nankai University, Tianjin, 300071, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Lu
authors.affiliation: College of Electronic Information and Optical Engineering, Nankai University, Tianjin, 300071, China.
authors.forename: Wei-Hua
authors.initials: WH
authors.lastname: Wang
authors.affiliation: College of Electronic Information and Optical Engineering, Nankai University, Tianjin, 300071, China. weichaowang@nankai.edu.cn.
authors.forename: Wei-Chao
authors.initials: WC
authors.lastname: Wang
authors.affiliation: Department of Chemistry, Key Laboratory of Advanced Energy Material Chemistry, Nankai University and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, 300071, China.
authors.forename: Guang-Jun
authors.initials: GJ
authors.lastname: Wu
authors.affiliation: Department of Chemistry, Tianjin University, Tianjin, 300072, China.
authors.forename: Jian-Zhong
authors.initials: JZ
authors.lastname: Cui
authors.affiliation: Department of Chemistry, Key Laboratory of Advanced Energy Material Chemistry, Nankai University and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, 300071, China.
authors.forename: Peng
authors.initials: P
authors.lastname: Cheng
keywords: DFT calculations; hydrogen generation; photo-generated electrons and holes; photocatalysis; semi-conductive MOFs