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DFT studies on anionic hetero atom (N or/and S) substitution in TiO 2
M. Sankaran, Balasubramanian Viswanathan, Ram Prasad Viswanath
Published in
Volume: 46
Issue: 6
Pages: 895 - 898
The variation in the band structure, band gap and stability of the hetero atom substituted TiO2 have been studied. Study shows that S doping has considerable role in the reduction of the band gap, Eg. In addition, it has been shown that sulphur doping at the oxide ion position is preferred.
About the journal
JournalIndian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry
Open AccessNo