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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.
Calculated binding energies (in eV) of the complexes in , where , Mo, and W, and and Si.
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.
The wave function square contour plots of the VBM (left) and CBM (right) for the bulk anatase .
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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