Band gap engineering in BiNbO4 for visible-light photocatalysis

• We have investigated the electronic structure of anionic mono- (S, N, and C) and co-doping (N-N, C-N, S-C, and S-N) on BiNbO4 for the visible-light photocatalysis. The maximum band gap reduction of pure BiNbO4 is possible with the (C-S) co-doping and minimum with N mono-doping. The calculated binding energies show that the co-doped systems are more stable than their mono-doped counterparts. Our optical absorption curves indicate that the mono- (C) and co-anionic doped (N-N and C-S) BiNbO4 systems are promising materials for visible light photocatalysis.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

Band gap engineering

Band gap reduction

Co-doped

Co-doping

Visible-light photocatalysis

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