Synergistic effects of F and Fe in co-doped TiO2 nanoparticles
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- 作者：Yufei Zhang ; Huiyuan Shen ; Yanhua Liu
- 关键词：Cooperation of F and Fe ; Co ; doped TiO2 ; Optical response ; Photocatalytic activity ; Density functional theory ; Modeling and simulation
- 刊名：Journal of Nanoparticle Research
- 出版年：2016
- 出版时间：March 2016
- 年：2016
- 卷：18
- 期：3
- 全文大小：2,540 KB
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Huiyuan Shen (1)
Yanhua Liu (1)
1. Department of Building Environment and Services Engineering, School of Human Settlements and Civil Engineering, Xi’an Jiaotong University, Xi’an, 710049, China - 刊物类别：Chemistry and Materials Science
- 刊物主题：Chemistry
Nanotechnology
Inorganic Chemistry
Characterization and Evaluation Materials
Physical Chemistry
Applied Optics, Optoelectronics and Optical Devices - 出版者：Springer Netherlands
- ISSN：1572-896X
文摘
TiO2 photocatalysts co-doped with F and Fe were synthesized by a sol–gel method. Synergistic effects of F and Fe in the co-doped TiO2 were verified by NH3 decomposition, X-ray diffraction (XRD), scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS) and ultraviolet–visible (UV–Vis) absorption spectroscopy, and was analyzed by the simulation based on the density functional theory (DFT). The results from NH3 decomposition confirmed that the cooperation of F and Fe broadened the optical response of TiO2 to visible light region and also enhanced the photocatalytic activity of TiO2 under ultraviolet light. XRD patterns, SEM and HRTEM images showed that the co-doped samples were nanometric anatase with an average particle size of 25 nm. Co-doping with F and Fe inhibited the grain growth of TiO2 from anatase to rutile and resulted in a larger lattice defect. XPS analysis exhibited that the doped F and Fe atoms were into the TiO2 lattice. UV–Vis absorption spectra showed that its optical absorption edge was moved up to approximately 617 nm and its ultraviolet absorption was also enhanced. The DFT results indicated that the cooperation of Fe 3d and O 2p orbits narrowed the band gap of TiO2 and F 2p orbit widened the upper valence bands. The synergistic electron density around F and Fe in co-doped TiO2 was capable to enhance the photo-chemical stability of TiO2.