CeO2nanoparticles(NPs) were synthesized in alkaline medium via the homogeneous precipitation method and were subsequently calcined at 80 ℃/24 h(assigned as CeO2-80) and 500 ℃/2 h(assigned as CeO2-500). The as-prepar...CeO2nanoparticles(NPs) were synthesized in alkaline medium via the homogeneous precipitation method and were subsequently calcined at 80 ℃/24 h(assigned as CeO2-80) and 500 ℃/2 h(assigned as CeO2-500). The as-prepared materials and the commercial ceria(assigned as CeO2-com) were characterized using TGA-MS, XRD, SEM-EDX, UV-vis DRS and IEP techniques. The photocatalytic performances of all obtained photocatalysts were assessed by the degradation of Congo red azo-dye(CR) under UVAlight irradiation at various environmental key factors(e.g., reaction time and calcination temperature).Results reveal that CeO2compounds crystalize with cubic phase, CeO2-500 exhibits smaller crystallite size(9 nm vs 117 nm) than that of bare CeO2-com. SEM analysis shows that the materials are sphericallike in shape NPs with strong assembly of CeO2NPs observed in the CeO2-500 NPs. EDX analysis confirms the stoichiometry of CeO2NPs. UV-vis DRS measurement reveals that, CeO2-500 NPs exhibits a red-shift of absorption band and a more narrow bandgap(2.6 eV vs 3.20 eV) than that of bare CeO2-com. On the contrary, Urbach energy of Eu is found to be increased from 0.12 eV(CeO2-com) to 0.17 eV(CeO2-500),highlighting an increase of crystalline size and internal microstrain in the CeO2-500 NPs sample. Zeta potential(IEP) of CeO2-500 NPs is found to be 7.2. UVA-light-responsive photocatalytic activity is observed with CeO2-500 NPs at a rate constant of 10×10-3min-1, which is four times higher than that of CeO2-com(Kapp=2.4×10-3min-1) for the degradation of CR. Pseudo-first-order kinetic model gives the best fit. On the basis of the energy band diagram positions, the enhanced photocatalytic performance of CeO2-500 nano-catalyst can be ascribed to O2-, ’OH and R’+as the primary oxidative species involved in the degradation of RC under UVA-light irradiation.展开更多
In recent years considerable investigations have been made on the applications of duster to simulating the calculations of solids. A general conclusion obtained is that the MO results show increasing similarity to the...In recent years considerable investigations have been made on the applications of duster to simulating the calculations of solids. A general conclusion obtained is that the MO results show increasing similarity to the electronic structure of the corresponding solid, as the size of cluster is increased. The results calculated on the duster containing about ten atoms exhibit all the main features of band structare.展开更多
文摘CeO2nanoparticles(NPs) were synthesized in alkaline medium via the homogeneous precipitation method and were subsequently calcined at 80 ℃/24 h(assigned as CeO2-80) and 500 ℃/2 h(assigned as CeO2-500). The as-prepared materials and the commercial ceria(assigned as CeO2-com) were characterized using TGA-MS, XRD, SEM-EDX, UV-vis DRS and IEP techniques. The photocatalytic performances of all obtained photocatalysts were assessed by the degradation of Congo red azo-dye(CR) under UVAlight irradiation at various environmental key factors(e.g., reaction time and calcination temperature).Results reveal that CeO2compounds crystalize with cubic phase, CeO2-500 exhibits smaller crystallite size(9 nm vs 117 nm) than that of bare CeO2-com. SEM analysis shows that the materials are sphericallike in shape NPs with strong assembly of CeO2NPs observed in the CeO2-500 NPs. EDX analysis confirms the stoichiometry of CeO2NPs. UV-vis DRS measurement reveals that, CeO2-500 NPs exhibits a red-shift of absorption band and a more narrow bandgap(2.6 eV vs 3.20 eV) than that of bare CeO2-com. On the contrary, Urbach energy of Eu is found to be increased from 0.12 eV(CeO2-com) to 0.17 eV(CeO2-500),highlighting an increase of crystalline size and internal microstrain in the CeO2-500 NPs sample. Zeta potential(IEP) of CeO2-500 NPs is found to be 7.2. UVA-light-responsive photocatalytic activity is observed with CeO2-500 NPs at a rate constant of 10×10-3min-1, which is four times higher than that of CeO2-com(Kapp=2.4×10-3min-1) for the degradation of CR. Pseudo-first-order kinetic model gives the best fit. On the basis of the energy band diagram positions, the enhanced photocatalytic performance of CeO2-500 nano-catalyst can be ascribed to O2-, ’OH and R’+as the primary oxidative species involved in the degradation of RC under UVA-light irradiation.
文摘In recent years considerable investigations have been made on the applications of duster to simulating the calculations of solids. A general conclusion obtained is that the MO results show increasing similarity to the electronic structure of the corresponding solid, as the size of cluster is increased. The results calculated on the duster containing about ten atoms exhibit all the main features of band structare.
