International Journal of Photoenergy / 2012 / Article / Tab 2

Research Article

Effect of Fe Concentration on Fe-Doped Anatase TiO2 from GGA + U Calculations

Table 2

Formation energy of O2 for different Fe concentrations.

Fe (at.%)Formation energy (eV)

O-richTi-rich
2.08−3.995.20
4.17−10.018.36
6.25−14.1313.43

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