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Oxygen vacancies in N doped anatase : Experiment and first-principles calculations
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10.1063/1.3272272
/content/aip/journal/apl/95/26/10.1063/1.3272272
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/26/10.1063/1.3272272
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(a) core level for N doped and pure anatase . (b) Valence-band spectra of N doped and pure anatase . The inset shows the magnified region of the occupied state within the gap.

Image of FIG. 2.
FIG. 2.

(a) Structure of pure anatase; (b) vacancy defect complex with O opposite N; (c) “Merging” of two O into central position. In (b) and (c), the ion is obscured from this viewpoint.

Image of FIG. 3.
FIG. 3.

Theoretical electronic structures for pure, N doped, and N doped plus O vacant .

Image of FIG. 4.
FIG. 4.

(a) Theoretical angular-momentum resolved components of Ti, O for pure . (b) Theoretical angular-momentum resolved components of Ti, O, and N for N doped with oxygen vacancies. The curves are normalized with respect to the maximum in each case.

Image of FIG. 5.
FIG. 5.

(a) Theoretical DOS and the experimental valence band for pure anatase . (b) Theoretical DOS and the experimental valence band for N doped anatase . The curves have been scaled to equal peak height.

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/content/aip/journal/apl/95/26/10.1063/1.3272272
2009-12-31
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Oxygen vacancies in N doped anatase TiO2: Experiment and first-principles calculations
http://aip.metastore.ingenta.com/content/aip/journal/apl/95/26/10.1063/1.3272272
10.1063/1.3272272
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