Capture of heavy metal ions from aqueous solutions is
a critical
but challenging step in environmental treatment. In this work, NH2-MIL-101(Fe) nanoparticles were synthesized by simple solvothermal
methods and applied to capture Cr(VI) anions from aqueous solutions.
The results revealed that NH2-MIL-101(Fe) exhibited a high
capture capacity (375.2 mg g–1) and an ultrafast
capture rate (4 min reaching equilibrium). The competitive effects
of coexisting ions such as Cl–, HCO3
–, PO4
3–, Cd2+, Ca2+, and Cu2+ on Cr(VI) are very weak, suggesting
that the adsorption selectivity significantly enhanced by loading
amino groups on MIL-101(Fe). Density functional theory (DFT) calculation
was performed to better understand the adsorption mechanism of Cr(VI),
showing that the amino groups could increase the adsorption energy
of Cr(VI) for enhancing the adsorption capacity. Based on powder X-ray
diffraction, X-ray photoelectron spectroscopy, and DFT calculations,
the Cr(VI) capture mechanism by NH2-MIL-101(Fe) nanoparticles
was a combination of coordination between Fe and Cr(VI), electrostatic
interaction between Cr2O7
2– and the protonated amino group, and reduction of Cr(VI) to Cr(III).