Effect of Fe Concentration on Fe-Doped Anatase TiO<sub><b>2</b></sub> from GGA + <i>U</i> Calculations

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</svg> anatase <svg height="15.675" id="M34" style="vertical-align:-3.276pt" version="1.1" viewbox="0 0 32.512501 15.675" width="32.512501" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.537)"><use xlink:href="#x54"></use></g><g transform="matrix(.017,-0,0,-.017,8.868,11.537)"><use xlink:href="#x69"></use></g><g transform="matrix(.017,-0,0,-.017,13.424,11.537)"><use xlink:href="#x4F"></use></g>
<g transform="matrix(.012,-0,0,-.012,26.125,15.613)"><use xlink:href="#x32"></use></g>
</svg> supercell models with various concentrations of Fe: (a) pure <svg height="15.675" id="M35" style="vertical-align:-3.276pt" version="1.1" viewbox="0 0 32.512501 15.675" width="32.512501" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
<g transform="matrix(.017,-0,0,-.017,.062,11.537)"><use xlink:href="#x54"></use></g><g transform="matrix(.017,-0,0,-.017,8.868,11.537)"><use xlink:href="#x69"></use></g><g transform="matrix(.017,-0,0,-.017,13.424,11.537)"><use xlink:href="#x4F"></use></g>
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</svg>, (b) 2.08 at.%, (c) 4.17 at.%, (d) 6.25 at.%.</table>

International Journal of Photoenergy

fig1

Figure 1

Figure 1: Effect of Fe Concentration on Fe-Doped Anatase TiO<sub><b>2</b></sub> from GGA + <i>U</i> Calculations 

International Journal of Photoenergy

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

Figure 1

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