Browsing by Subject "Oxides"

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Electronic structures of N- and C-doped NiO from first-principles calculations

Long, Run ; English, Niall J. ; Mooney, Damian A. (Elsevier, 2010-02-15)

The large intrinsic band gap of NiO has hindered severely its potential application under visible-light irradiation. In this study, we have performed first-principles calculations on the electronic properties of N- and ...