Electronic Structures of S/C-Doped TiO2 Anatase (101) Surface: First-Principles Calculations
Figure 5
Density of the states (DOS) calculated for S-doped surfaces: (a) Ti24O47S(A-STO), (b) Ti23SO48(C-STO), and (c) Ti23SO47S(AC-STO). Fermi level is at 0 eV and is 8.50 eV for Ti 3d electrons. The 3p states of S dopant at site and that of S dopant at site are represented by dark grey and black area, respectively.
