The determinants of effective defluorination by the LiAl-LDHs  

作　　者：Kaizhong Li Hui Liu Shuimei Li Qingzhu Li Shengtu Li Qingwei Wang 

机构地区：[1]School of Metallurgy and Environment,Central South University,Changsha 410083,China [2]Chinese National Engineering Research Center for Control&Treatment of Heavy Metal Pollution,Changsha 410083,China [3]Water Pollution Control Technology Key Lab of Hunan Province,Changsha 410004,China

出　　处：《Journal of Environmental Sciences》2023年第4期153-162,共10页环境科学学报（英文版）

基　　金：supported by the National Science Fund for Distinguished Young Scholars (No.52022111);the Natural Science Foundation of China (No.51974379);the Scientific and Technological Innovation Program of Hunan Province,Huxiang Youth Talent Project (No.2020RC_(3)012)。

摘　　要：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–were also more stable than the MgAl-LDHs.In addition,the existence of coordination covalent bond for the adsorbed-F–attached to the LiAl-LDHs was confirmed.This is an important reason for the high defluorination efficiency by the LiAl-LDHs.In addition,a series of weak interaction,including hydrogen bond and van der Waals interaction were also observed.Finally,a LiAl-LDHs with excellent fluoride removal properties were synthesized well by simple hydrothermal method.The results showed that our synthesized LiAl-LDHs with the capacity of 156.09 mg/g,could be effectively defluorinated in water.Notably,it surpasses most materials and has potential applications.

关 键 词：EFFICIENT DEFLUORINATION Water treatment LDHS DFT 

分 类 号：TU991.2[建筑科学—市政工程]