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International Journal of Photoenergy
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International Journal of Photoenergy
/
2012
/
Article
/
Tab 2
/
Research Article
Effect of Fe Concentration on Fe-Doped Anatase TiO
2
from GGA +
U
Calculations
Table 2
Formation energy of
O
2
for different Fe concentrations.
Fe (at.%)
Formation energy (eV)
O-rich
Ti-rich
2.08
−3.99
5.20
4.17
−10.01
8.36
6.25
−14.13
13.43