Abstract
This paper used the first-principle calculations based on the density functional theory (DFT) to determine the electronic structure and optical absorption of rutile TiO2 co-doped with nickel (Ni) as a transition metal and cerium (Ce) as a rare earth metal. The calculated results demonstrated that the nickel and cerium TiO2 co-doping induced impurity energy levels above the valence band maximum (VBM) which reduced the required electron transition energy and limit the recombination rate of charge carriers, as well as prolonging their life span. Likewise, the optical spectra of TiO2 co-doped with nickel and cerium revealed a larger photo-response for visible light than that of nickel or cerium, single doped TiO2.
Original language | English (US) |
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Pages (from-to) | 2393-2399 |
Number of pages | 7 |
Journal | Chinese Journal of Physics |
Volume | 55 |
Issue number | 6 |
DOIs | |
State | Published - Dec 2017 |
Keywords
- DFT
- Ni-Ce co-doping
- Rutile TiO
ASJC Scopus subject areas
- General Physics and Astronomy