Figure 4

Charge density and differential charge density for different configurations.
(a–c) is the charge density of the perfect TiO2, TiO2 with VO, TiO2 with HO and TiO2 with Hi, respectively. (d–f) is the differential charge density of TiO2 with VO, TiO2 with HO and TiO2 with Hi, respectively. The blue color indicates the low electron density and the red color indicates the high electron density.