期刊
JOURNAL OF SOLID STATE CHEMISTRY
卷 237, 期 -, 页码 313-322出版社
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2016.02.041
关键词
Metal-organic framework; Crystal structure; Tautomer; Band structure; Photocurrent
资金
- 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
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.
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