Highly stable and Active Cu /CeO Single-Atom Catalyst for CO Oxidation: A DFT Study.

We carried out density functional theory simulations to examine the stability and CO oxidation activity of single Cu atoms supported on CeO (111). Both the strong binding energy and high activation energy for Cu single atom diffusion indicate a high stability of the Cu /CeO single-atom catalyst. Electronic structure analysis verifies the formation of Cu cation due to electron transfer.

Preparation of Fe-MOFs by microwave-assisted ball milling for reducing Cr(vi) in wastewater.

Fe-Based metal-organic frameworks (Fe-MOFs) were prepared with trimesic acid and FeSO·7HO via a microwave-assisted ball milling approach. The structure and thermal stability of the as-prepared Fe-MOFs were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectrometry (FTIR), X-ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA). When used to degrade 20 mg L hexavalent chromium in aqueous solution, the Fe-MOFs were found to completely reduce a 100 mL solution within 120 min under natural light and a 400 mL solution within 90 min under Xe lamp irradiation.