Browsing by Subject "V-doped anatase TiO2"

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First-principles calculation of electronic structure of V-doped anatase TiO2

Long, Run ; English, Niall J. (Wiley, 2010-08-23)

The energetic and electronic structures of V-doped anatase TiO2 have been investigated systematically by the GGA+U approach, including replacement of Ti by V in the absence and presence of oxygen vacancies and the presence ...