1. The determinants of effective defluorination by the LiAl-LDHs
- Author
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Kaizhong Li, Hui Liu, Shuimei Li, Qingzhu Li, Shengtu Li, and Qingwei Wang
- Subjects
Fluorides ,Environmental Engineering ,Health Status ,Humans ,Water ,Environmental Chemistry ,Fluorine ,General Medicine ,Density Functional Theory ,General Environmental Science - Abstract
Millions of people in poor areas are still under the threat of fluoride contamination. How to effectively separate fluorine in water is an important step to reduce the ecological risk. In this paper, we performed a systematic DFT calculation focused on the defluorination behavior between the LiAl- and MgAl-LDHs. The results indicated that the LiAl-LDHs exhibited high chemical activity before the defluorination, because of the better electronic structure. After the defluorination, the LiAl-LDHs with adsorbed-F
- Published
- 2023