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Volumn 80, Issue 24, 2009, Pages

Properties of hydrogen and hydrogen-vacancy complexes in the rutile phase of titanium dioxide

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EID: 77954731219     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.245203     Document Type: Article
Times cited : (61)

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    • Given the good agreement of the transition states calculated for the VO with the experimental findings, and the lack of a general consensus on the different, proposed extrapolation schemes to be applied to transition levels, we did not use any of them to compare the transition states here estimated with the experimental energy gap of rutile.
    • Given the good agreement of the transition states calculated for the V O with the experimental findings, and the lack of a general consensus on the different, proposed extrapolation schemes to be applied to transition levels, we did not use any of them to compare the transition states here estimated with the experimental energy gap of rutile.


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