Configurations, band structures and photocurrent responses of   4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks

doi:10.1016/j.jssc.2016.02.041

CORC > 北京大学 > 化学与分子工程学院

	Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks
	Yan, Xingxiu ; Qiu, Xiandeng ; Yan, Zhishuo ; Li, Hongjiang ; Gong, Yun ; Lin, Jianhua
刊名	JOURNAL OF SOLID STATE CHEMISTRY
	2016
关键词	Metal-organic framework Crystal structure Tautomer Band structure Photocurrent MAGNETIC-PROPERTIES ENERGY-TRANSFER LUMINESCENCE MOFS PHOTOCATALYSIS CATALYSIS LIGAND SERIES
DOI	10.1016/j.jssc.2016.02.041
英文摘要	4-(4-oxopyridin-1(4 H)-yl)phthalic acid (H2L) and three H2L-based metal-organic frameworks (MOFs) formulated as ZnL(DPE)(H2O)center dot H2O (DPE=(E)-1, 2-di(pyridine-4-yl)ethene) (1), CdL(H2O)(2) (2) and CdL (3) were synthesized and structurally characterized by single-crystal X-ray diffraction. The free H2L ligand shows an enol-form and the L2- ligand in the three MOFs exists as the keto-form. Density functional theory (DFT) calculations indicate H2L and the three MOFs possess different band structures. Due to the existence of the N-donor, DPE in MOF 1, the conduction band (CB) minimum and band gap of MOF 1 are much lower than those of H2L. And MOF 1 yielded much larger photocurrent density than H2L upon visible light illumination. Electrochemical impedance spectroscopy (EIS) shows the interfacial charge transfer impedance in the presence of MOF 1 is lower than that in the presence of H2L. The hydrous MOF 2 and the anhydrous MOF 3 are both constructed by Cd(II) and L2-, and they can be reversibly transformed to each other. However, MOFs 2 and 3 possess different CB minimums and VB maximums, and their band gaps are much larger than that of MOF 1. (C) 2016 Elsevier Inc. All rights reserved.; National Natural Science Foundation of China [21371184]; Fundamental Research Funds for the Central Universities [CQDXWL-2012-024]; large-scale instrument and equipment Open Foundation in Chongqing University [201406150041]; Chongqing Key Laboratory of Chemical Process for Clean Energy and Resource Utilization; SCI(E); EI; ARTICLE; gongyun7211@cqu.edu.cn; jhlin@pku.edu.cn; 313-322; 237
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/437296]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Yan, Xingxiu,Qiu, Xiandeng,Yan, Zhishuo,et al. Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks[J]. JOURNAL OF SOLID STATE CHEMISTRY,2016.
APA	Yan, Xingxiu,Qiu, Xiandeng,Yan, Zhishuo,Li, Hongjiang,Gong, Yun,&Lin, Jianhua.(2016).Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks.JOURNAL OF SOLID STATE CHEMISTRY.
MLA	Yan, Xingxiu,et al."Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks".JOURNAL OF SOLID STATE CHEMISTRY (2016).