Comparison of Sin+ and Gen+ (n=2-15) Cationic Structures

We designed and optimized a large number of the isomers of Si12+ at the level of density functional theory (DFT)-B3LYP/6-311++G(d) using the Gaussian 03 software package. An unambiguous structure of the Si12+ cluster is presented, whose IR spectrum agrees well with the experiment result. The most stable geometric structures of Gen+(n=2-15) clusters were determined by the all-electron PBE/DND method in DMol3 of the Material Studio Package, and compared with those of the corresponding Sin+ geometries. Most structures of Gen+ and Sin+ are similar except the ones of those for n=9, 12, 13 and 14, and the pentagonal bipyramid motif and the tri-capped trigonal prism(TTP) motif often appear in the Sin+ and Gen+(n=7-15) structures(except for Si14+).     

Photoluminescent properties of Ca2RE8（SiO4）6O2：A （RE=Y,Gd; A=Pb^2＋, Mn^2＋） phosphor films prepared by sol-gel process

Ca2RE8（SiO4）6O2：A （RE=Y, Gd; A=Pb^2＋, Mn^2＋） phosphor fdms were dip-coated on quartz glass substmtes through the sol-gel process. X-ray diffraction （XRD）, photoluminescence （PL） spectra as well as lifetimes were used to characterize the resulting films. Under short wavelength UV excitation, the film showed a red emission with medium intensity. The decay curve of Mn^2＋ luminescence in Ca2Gd8（SiO4）6O2：Pb Mn film could be fitted into a single exponential function. The lifetime of Mn^2＋ was 10.21 ms in Ca2Gd8（SiO4）6O2.