Electronic Structures of S/C-Doped TiO2 Anatase (101) Surface: First-Principles Calculations
Figure 1
(a) Relaxed structure of Ti24O48 surface cell (TO) with surface area of 11.15 × 7.55 Å2, the first layer is in the dashed line. (b) Relaxed structure of the first layer of TO, the bond length of with its neighboring O atoms and with its neighboring Ti atoms are labeled. Ti and O atoms are represented by grey and red spheres, respectively.
