. 2015 Apr 7;6(6):3483–3494. doi: 10.1039/c5sc00621j

Table 3. The relative stabilities (eV) of hole and electron at the three-phase junction and the rutile–anatase direct junction ^a .

	Inter.	Bulk anatase	Bulk rutile
Indirect Model
Hole	0	0.30	–0.05
Electron	0	0.15	0.15

Direct Model
Hole	0	0.42	0.11
Electron	0	–0.04	–0.16

^aThe three-phase junction is represented by the anatase/TiO₂-II crystal with a 12A/2II model and the rutile/TiO₂-II crystal with a 4R/II model. The rutile–anatase direct junction is represented by a 8A/15R model. In each calculation, the energy of hole–electron at the interface (Inter.) is set as reference.

Table 3. The relative stabilities (eV) of hole and electron at the three-phase junction and the rutile–anatase direct junction a .

Table 3. The relative stabilities (eV) of hole and electron at the three-phase junction and the rutile–anatase direct junction ^a .