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A passivated codoping approach to tailor the band edges of for efficient photocatalytic degradation of organic pollutants
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10.1063/1.3174917
/content/aip/journal/apl/95/1/10.1063/1.3174917
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/1/10.1063/1.3174917
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Oxidation of pollutants (p) using illuminated by light. The energy scale is indicated in electron volts using the normal hydrogen electrode (NHE) as a reference.

Image of FIG. 2.
FIG. 2.

Calculated binding energies (in eV) of the complexes in , where , Mo, and W, and and Si.

Image of FIG. 3.
FIG. 3.

The total and projected DOSs for the bulk anatase . The two vertical dash dotted lines indicate the energy positions of the VBM and the CBM, respectively.

Image of FIG. 4.
FIG. 4.

The wave function square contour plots of the VBM (left) and CBM (right) for the bulk anatase .

Image of FIG. 5.
FIG. 5.

The shifts of CBM and VBM for anatase doped with different passivated impurity pairs. Positive number indicates an uphill shift in energy with respect to pure . The two horizontal dotted lines indicate the energy positions of the oxygen reduction level (up) and the water oxidation level (down), respectively.

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/content/aip/journal/apl/95/1/10.1063/1.3174917
2009-07-08
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A passivated codoping approach to tailor the band edges of TiO2 for efficient photocatalytic degradation of organic pollutants
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/1/10.1063/1.3174917
10.1063/1.3174917
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