Electronic, optical and photocatalytic behavior of Mn, N doped and co-doped TiO2: Experiment and simulation
| Autor: | Leng Yuan Niu, Can Li, Ji Yuan Hu, S. Lu, Yin Yan Gong, Ru Xi Liu, Y.F. Zhao |
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| Rok vydání: | 2016 |
| Předmět: |
Electron mobility
Materials science Diffuse reflectance infrared fourier transform Band gap Analytical chemistry Physics::Optics 02 engineering and technology 010402 general chemistry 01 natural sciences Inorganic Chemistry Condensed Matter::Materials Science symbols.namesake X-ray photoelectron spectroscopy Impurity Condensed Matter::Superconductivity Materials Chemistry Physical and Theoretical Chemistry Doping 021001 nanoscience & nanotechnology Condensed Matter Physics 0104 chemical sciences Electronic Optical and Magnetic Materials Ceramics and Composites Photocatalysis symbols Condensed Matter::Strongly Correlated Electrons 0210 nano-technology Raman spectroscopy |
| Zdroj: | Journal of Solid State Chemistry. 235:160-168 |
| ISSN: | 0022-4596 |
| Popis: | The crystal phase structure, surface morphology, chemical states and optical properties of Mn, N mono-doped and co-doped TiO2 nanoparticles were investigated by X-ray powder diffractometry, Raman spectra, scanning electron microscopy, X-ray photoelectron spectroscopy and UV–vis diffuse reflectance spectroscopy. Meanwhile, geometry structures, formation energies, electronic and optical properties of all systems have been also analyzed by density functional theory. The results showed that the band gap values and the carrier mobility in the valence band, conduction band and impurity levels have a synergetic influence on the visible-light absorption and photocatalytic activity of the doped TiO2. The number and the carrier mobility of impurity level jointly influence the photocatalytic activity of catalyst under visible-light. Especially, the photocatalytic activity of Mn-2N co-doped TiO2 beyond three-fold than that of pure TiO2 under visible-light. |
| Databáze: | OpenAIRE |
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