The photocatalytic property for water splitting and the structural stability of CuMgM layered double hydroxides (M = Al, Cr, Fe, Ce)
作者： Shengjie Xia , Lianyang Zhang , Xiaobo Zhou , Guoxiang Pan , Zheming Ni
DOI: 10.1016/J.CLAY.2015.06.023
关键词: Layered double hydroxides 、 Inorganic chemistry 、 Water splitting 、 Crystal structure 、 Visible spectrum 、 Band gap 、 Density functional theory 、 Photocatalysis 、 Materials science 、 Electronic band structure 、 Physical chemistry
摘要: Abstract In this paper, four types of CuMgM layered double hydroxides (LDHs, M = Al, Cr, Fe, Ce) with good crystal structures were successfully synthesized. The activity those LDH materials for photocatalytic reduction water splitting under visible light was investigated. experimental results showed that CuMgCr-LDHs the narrowest band gap and largest surface areas behave highest efficiency hydrogen production than other CuMgM-LDHs. yield catalyzed by 452.9 μmol/g h, which very highly efficient. Furthermore, electronic structure CuMgM-LDHs analyzed periodic density functional theory (DFT) calculation, is in agreement result from UV–vis. addition, influence different M3 + on stability also investigated analyzing geometric parameters, arrangement, charge populations, hydrogen-bonding binding energies analysis. theoretical calculation structural followed order CuMgAl > CuMgCe > CuMgFe > CuMgCr, while indicated CuMgCr > CuMgFe > CuMgCe > CuMgAl.
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