| Experimental and computational study of visible light-induced photocatalytic ability of nitrogen ions-implanted TiO2 nanotubes |
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| 作者姓名： | 张瑞菁 刘晓丽 侯兴刚 廖斌 |
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| 作者单位： | College of Physics and Materials Science;Key Laboratory of Beam Technology and Material Modification of Ministry of Education |
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| 基金项目： | Project supported by the National Natural Science Foundation for Joint Fund Key Project of China(Grant No.U1865206);the National Science and Technology Major Project of China(Grant No.2017-Ⅶ-0012-0107);the National Defense Science and Technology Key Laboratory Fund of China(Grant No.614220207011802);the Key Area Research and Development Program of Guangdong Province,China(Grant No.2019B090909002)。 |
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| 摘 要： | Nitrogen-doped TiO2 nanotubes(TNTs)were prepared by ion implantation and anodic oxidation.The prepared samples were applied in photocatalytic(PC)oxidation of methyl blue,rhodamine B,and bisphenol A under light irradiation.To explore the influence of doped ions on the band and electronic structure of TiO2,computer simulations were performed using the VASP code implementing spin-polarized density functional theory(DFT).Both substitutional and interstitial nitrogen atoms were considered.The experimental and computational results propose that the electronic structure of TiO2 was modified because of the emergence of impurity states in the band gap by introducing nitrogen into the lattice,leading to the absorption of visible light.The synergy effects of tubular structures and doped nitrogen ions were responsible for highly efficient and stable PC activities induced by visible and ultraviolet(UV)light.
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| 关 键 词： | PHOTOCATALYTIC activities nitrogen ion implantation TiO2 NANOTUBE IMPURITY energy level light irradiation |
Experimental and computational study of visible light-induced photocatalytic ability of nitrogen ions-implanted TiO_2 nanotubes |
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| Ruijing Zhang,Xiaoli Liu,Xinggang Hou,Bin Liao.Experimental and computational study of visible light-induced photocatalytic ability of nitrogen ions-implanted TiO2 nanotubes[J].Chinese Physics B,2020(4):82-88. |
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| Authors: | Ruijing Zhang Xiaoli Liu Xinggang Hou Bin Liao |
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| Affiliation: | (College of Physics and Materials Science,Tianjin Normal University,Tianjin 300387,China;Key Laboratory of Beam Technology and Material Modification of Ministry of Education,College of Nuclear Science and Technology,Beijing Normal University,Beijing 100875,China) |
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| Abstract: | Nitrogen-doped TiO_2 nanotubes (TNTs) were prepared by ion implantation and anodic oxidation. The prepared samples were applied in photocatalytic (PC) oxidation of methyl blue, rhodamine B, and bisphenol A under light irradiation.To explore the influence of doped ions on the band and electronic structure of TiO_2 , computer simulations were performed using the VASP code implementing spin-polarized density functional theory (DFT). Both substitutional and interstitial nitrogen atoms were considered. The experimental and computational results propose that the electronic structure of TiO_2 was modified because of the emergence of impurity states in the band gap by introducing nitrogen into the lattice, leading to the absorption of visible light. The synergy effects of tubular structures and doped nitrogen ions were responsible for highly efficient and stable PC activities induced by visible and ultraviolet (UV) light. |
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