A Density Functional Theory (DFT) and Experimental study on F-doped Bismuth Molybdate Nanoplates; The effects of pH on Photocatalysis and Adsorption

The present work describes two-dimensional plate architecture of F/Bi2MoO6 toward photodegradation of RhB in aqueous solution. The effects of F-doping on the physicochemical properties of Bi2MoO6 are confirmed by XRD, XPS, SEM, FTIR, Raman, PL, EDX, EDX mapping, and UV−Vis diffuse reflectance spectra. Under the influence of CTAB surfactant, Bismuth, Molybdenum, and Fluorine source self-assemble into nanoplate architectures, whereas FE-SEM images confirm two-dimensional plate morphology. The photocatalytic activity of the nanoplates is studied under visible-light (λ> 420 nm) irradiation toward the photodegradation of RhB. It is interesting to find that the F-doped sample showed enhanced photocatalytic activity. In addition, density functional theory (DFT) calculations performed to study the Frontier orbital character.