Calculation of Electronic and Optical Properties of Doped Titanium Dioxide Nanostructure
By means of first principles calculations we show that both rutile and anatase phases of bulk TiO2 doped by S, Se or Pb can display substantial decreasing in the band gap (up to 50%), while doping by Zr does not sizably affect the band-gap value. Moreover, the absorption edge is shifted (up to 1...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nanoscience and Nanotechnology Research Center, University of Kashan
2012-06-01
|
| Series: | Journal of Nanostructures |
| Subjects: | |
| Online Access: | http://jns.kashanu.ac.ir/article_5361_a0cff4830d675d27e30c5f6490228e58.pdf |