Experimental and DFT study of F⁻ removed by Cl⁻-hydrotalcite

Abstract

At present, the use of hydrotalcite-like materials to remove fluoride from water is a relatively popular research topic. Herein, the experimental and theoretical study on the adsorption of F- on...

Removal of Cu(II) from aqueous solutions by zinc oxide‐montmorillonite composite

“…The negative values of ΔG T indicate that the adsorption process of Cu(II) on the ZnO-Mt surface is spontaneous. This result is considered similar to the removal of fluoride ions by chlorineintercalated hydrotalcite prepared by Wang et al [51]. Additionally, the higher the temperature, the greater the absolute value of ΔG T , demonstrating that the increase in temperature is beneficial to the adsorption of Cu(II) on the ZnO-Mt surface.…”

ZnTi‐LDH Nanosheets Prepared Solvothermically in Ethylene Glycol Studied for their Adsorption Performance towards Ethyl Mercaptan**

“…Moreover, the intensity of the peak is also reduced compared with that before adsorption, showing that the orbitals are involved in the interaction. In Figure 11 (c), the 1s orbitals of H atom on the nanosheet move to left above the Fermi level, and slightly move to right below the Fermi level, indicating that there is electron transfer between S atom and H atom at the adsorption site [40] . Figure 11 (d) is the PDOS curve before and after adsorption of 1s orbitals of H atom and 3s and 3p orbitals of S atom.…”

“…In Figure 11 (c), the 1s orbitals of H atom on the nanosheet move to left above the Fermi level, and slightly move to right below the Fermi level, indicating that there is electron transfer between S atom and H atom at the adsorption site. [40] Figure 11 (d) is the PDOS curve before and after adsorption of 1s orbitals of H atom and 3s and 3p orbitals of S atom. It can be seen that the orbitals before adsorption did not overlap, and the 3p orbitals of S atom and the 1 s orbitals of H atom overlapped at the center of around À 9.8 and 2.8 eV after adsorption.…”

Unveiling glutamic acid-functionalized LDHs: understanding the Cr(vi) removal mechanism from microscopic and macroscopic view points

“…The mobility of molecules between LDH layers can be demonstrated by the Mean Square Displacement (MSD) of the characteristic atoms. 49,50 It is noteworthy that the mobility of O W (D = 1.67 Â 10 À9 m 2 s À1 ) was much larger than that of O (D = 7.82 Â 10 À12 m 2 s À1 ). The results of the MSD calculation indicate that the movement of glutamic acid was restricted, indicating a high interaction between the glutamic acid and the LDH layer, leading to the restriction of its movement.…”