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Characterization and photocatalytic activity of Fe- and N-co-deposited TiO2 and first-principles study for electronic structure |
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| Authors: | Chung-Chih Yen Han C Shih |
| Institution: | a Department of Materials Science and Engineering, National Chung Hsing University, 250 Kuo Kuang Road, Taichung 40249, Taiwan b Department of Materials Science and Engineering, MingDao University, 369 Wen-Hua Road, Changhua 52345, Taiwan c Institute of Materials Science and Nanotechnology, Chinese Culture University, 55 Hwa-Kang Road, Taipei 11114, Taiwan |
| Abstract: | Titanium dioxide (TiO2), co-deposited with Fe and N, is first implanted with Fe by a metal plasma ion implantation (MPII) process and then annealed in N2 atmosphere at a temperature regime of 400-600 °C. First-principle calculations show that the (Fe, N) co-deposited TiO2 films produced additional band gap levels at the bottom of the conduction band (CB) and on the top of the valence band (VB). The (Fe, N) co-deposited TiO2 films were effective in both prohibiting electron-hole recombination and generating additional Fe-O and N-Ti-O impurity levels for the TiO2 band gap. The (Fe, N) co-deposited TiO2 has a narrower band gap of 1.97 eV than Fe-implanted TiO2 (3.14 eV) and N-doped TiO2 (2.16 eV). A significant reduction of TiO2 band gap energy from 3.22 to 1.97 eV was achieved, which resulted in the extension of photocatalytic activity of TiO2 from UV to Vis regime. The photocatalytic activity and removal rate were approximately two-fold higher than that of the Fe-implanted TiO2 under visible light irradiation. |
| Keywords: | Titanium dioxide Photo-catalysis (Fe N) co-deposition TiO2 Band gap energy First-principle calculation |
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