期刊
MOLECULAR CATALYSIS
卷 435, 期 -, 页码 118-127出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.mcat.2017.03.024
关键词
Layered double hydroxides; Photocatalysis; Hexachlorobenzene (HCB) degradation; Intermediates and pathway; Dissociation energy calculation
资金
- National Natural Science Foundation of China [21503188]
- Zhejiang Provincial Natural Science Foundation of China [LQ15B030002]
- College Students Technological Innovation Plan of Zhejiang Province (Xinmiao Talent Plan)
In this paper, we synthesized five different types of ZnCr layered double hydroxides with different anions (F-, Cl-, Br-, I- and NO3-). A thorough determination of the structure, chemical composition and other physical and chemical properties of the synthesized LDHs materials were done by techniques such as XRD, FTIR, BET, ICP-AES and UV-vis. The photocatalytic degradation of hexachlorobenzene reaction showed that different anions have largely influence on the reactivity and selectivity of the LDHs. The structure stability difference of the LDHs was explained and compared based on the difference of the following physical properties such as Mulliken bonding population, hydrogen bonding and density of states, which were calculated based on DFT theory. It was found that the photocatalytic performance of these LDHs was highly related to their structure stability. In addition, the HCB degradation mechanism was also analyzed by combining GC-MS data and the dissociation energy calculation. (C) 2017 Elsevier B.V. All rights reserved.
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