中国物理B ›› 2020, Vol. 29 ›› Issue (4): 48501-048501.doi: 10.1088/1674-1056/ab6d53

所属专题: SPECIAL TOPIC — Ion beam technology

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇    下一篇

Experimental and computational study of visible light-induced photocatalytic ability of nitrogen ions-implanted TiO2 nanotubes

Ruijing Zhang(张瑞菁), Xiaoli Liu(刘晓丽), Xinggang Hou(侯兴刚), Bin Liao(廖斌)   

  1. 1 College of Physics and Materials Science, Tianjin Normal University, Tianjin 300387, China;
    2 Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China
  • 收稿日期:2020-01-02 修回日期:2020-01-13 出版日期:2020-04-05 发布日期:2020-04-05
  • 通讯作者: Xinggang Hou, Bin Liao E-mail:hou226@tjnu.edu.cn;liaobingz@bnu.edu.cn
  • 基金资助:
    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), and the Key Area Research and Development Program of Guangdong Province, China (Grant No. 2019B090909002).

Experimental and computational study of visible light-induced photocatalytic ability of nitrogen ions-implanted TiO2 nanotubes

Ruijing Zhang(张瑞菁)1, Xiaoli Liu(刘晓丽)1, Xinggang Hou(侯兴刚)1, Bin Liao(廖斌)2   

  1. 1 College of Physics and Materials Science, Tianjin Normal University, Tianjin 300387, China;
    2 Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China
  • Received:2020-01-02 Revised:2020-01-13 Online:2020-04-05 Published:2020-04-05
  • Contact: Xinggang Hou, Bin Liao E-mail:hou226@tjnu.edu.cn;liaobingz@bnu.edu.cn
  • Supported by:
    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), and the Key Area Research and Development Program of Guangdong Province, China (Grant No. 2019B090909002).

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.

关键词: photocatalytic activities, nitrogen ion implantation, TiO2 nanotube, impurity energy level, light irradiation

Abstract: 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.

Key words: photocatalytic activities, nitrogen ion implantation, TiO2 nanotube, impurity energy level, light irradiation

中图分类号:  (Impurity doping, diffusion and ion implantation technology)

  • 85.40.Ry
81.07.De (Nanotubes) 71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)