Full text loading...
(Color online) (a) 48-atom supercell model for defective anatase TiO2 shows the location of the dopants. The atom doping sites are marked with Eu and Si. The gray spheres and red spheres represent the Ti and O atoms, respectively. The blue sphere and purple sphere represent Eu and Si atoms, respectively. (b) XRD patterns for the pure and doped TiO2.
(Color online) Calculated TDOS and PDOS of different doped TiO2. The top of the valence band of pure anatase TiO2 is taken as the reference level. Curves above and below the horizontal axis refer to the up-spin and down-spin DOS, respectively.
(Color online) The optical absorption curves of (a, a′) pure, (b, b′) Si-doped, (c, c′) Eu-doped, (d, d′) Eu/Si-codoped TiO2. The left and right figures represent the absorption spectra obtained by calculations and experiments, respectively.
(Color online) Photocatalytic degradation ratio of MB in the presence of the pure and doped nanocrystalline TiO2.
Defect formation energies Ef of different doped anatase TiO2 (ineV).
Article metrics loading...