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Here we investigated the effects of Ce and Mo doping on hydrothermally synthesized bismuth vanadate BiVO4 nanoparticles (NPs). The existence of monoclinic scheelite and tetragonal zircon phases of NPs was validated from Rietveld refinement of the powdered X-ray diffraction, room temperature Raman, and Fourier-transform infrared spectroscopy. The co-doping of Bi and V sites with respective Ce and Mo dopants in a mixed tetragonal zircon and monoclinic scheelite phases of BiVO4 lattice was corroborated from high-resolution transmission electron microscopy and X-ray photoelectron spectroscopy. The photoluminescence measurements revealed enhancement of photo-generated carrier recombination in (Ce, Mo) co-doped BiVO4 NPs which may have hampered its photocatalytic efficiency in degrading the methylene blue dye. The simulations based on Hubbard U corrected density functional theory (DFT+U) suggest that Mo and Ce co-doping introduced deep impurity states which may have facilitated the photo-generated carrier recombination detrimental to photocatalytic performance. The UV-vis diffuse reflectance measurements provided evidence for the presence of these defect states. In summary, this work may have presented a comprehensive experimental analysis of (Ce, Mo) doped BiVO4 supported by DFT simulations.

The prototypical toxic dye rhodamine B (RhB) is perhaps one of the most abundant pollutants in industrial wastewater. Its efficient photocatalytic degradation through composite photocatalysts is crucial for environmental remediation. Here, we synthesized quaternary Bi5O7I/Bi(IO3)3/Bi2(IO4)(IO3)3/BiOIO3 bismuth iodate composites through facile hydrothermal and solvothermal methods. The coexistence of multiple bismuth iodate phases was confirmed by x-ray diffraction analysis, room temperature Raman, and Fourier-transform infrared spectroscopy. The desired chemical states of Bi, I, and O inside the composites were confirmed by x-ray photoelectron spectroscopy. Field emission electron microscopy revealed flower-shaped nanosheet morphology for the composite synthesized at 120 °C, whereas randomly shaped nanoparticles with an average size of 80 nm were formed in the composite calcined at 400 °C. High-resolution transmission electron microscopy further corroborated the existence of multiple phases in the composites. The diffuse reflectance spectroscopy confirmed the optical absorption edges of the composites to be located within the visible range of 1.68–3.16 eV. The flower-shaped quaternary bismuth iodate composite demonstrated 100% degradation of RhB dye within 40 min of optical exposure. This quaternary bismuth iodate composite is suitable for solar harvesting-driven toxic dye remediation.