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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.46A [2007] >
IJC-A Vol.46A(06) [June 2007] >
| Title: | DFT studies on anionic hetero atom (N or/and S) substitution in TiO₂ |
| Authors: | Sathish, M
Sankaran, M
Viswanathan, B
Viswanath, R P |
| Issue Date: | Jun-2007 |
| Publisher: | CSIR |
| Abstract: | 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. |
| Page(s): | 895-898 |
| ISSN: | 0376-4710 |
| Source: | IJC-A Vol.46A(06) [June 2007]
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