Figure 1.

Models for calculation. (a) Unit cell of anatase TiO2; (b) Structure of 2 × 1 × 1 supercell model of transition metal-doped TiO2. The gray spheres, the red spheres, and the blue sphere represent Ti atoms, O atoms, and transition metal atom, respectively.

Wang et al. Nanoscale Research Letters 2014 9:46   doi:10.1186/1556-276X-9-46
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