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Title: Cationic (V, Y)-codoped TiO{sub 2} with enhanced visible light induced photocatalytic activity: A combined experimental and theoretical study

To employ TiO{sub 2} as an efficient photocatalyst, high reactivity under visible light and improved separation of photoexcited carriers are required. An effective co-doping approach is applied to modify the photocatalytic properties of TiO{sub 2} by doping vanadium (transition metal) and yttrium (rare earth element). V and/or Y codoped TiO{sub 2} was prepared using hydrothermal method without any post calcination for crystallization. Based on density functional theory, compensated and noncompensated V, Y codoped TiO{sub 2} models were constructed and their structural, electronic, and optical properties were calculated. Through combined experimental characterization and theoretical modeling, V, Y codoped TiO{sub 2} exhibited high absorption coefficient with enhanced visible light absorption. All the prepared samples showed pure anatase phase and spherical morphology with uniform particle distribution. Electronic band structure demonstrates that V, Y codoping drastically reduced the band gap of TiO{sub 2}. It is found that both the doped V and Y exist in the form of substitutional point defects replacing Ti atom in the lattice. The photocatalytic activity, evaluated by the degradation of methyl orange, displays that the codoped TiO{sub 2} sample exhibits enhanced visible light photocatalytic activity. The synergistic effects of V and Y drastically improved the Brunauer-Emmett-Teller specific surface area,more » visible light absorption, and electron-hole pair's separation leading to the enhanced visible light catalytic activity.« less
Authors:
 [1] ;  [2] ;  [1]
  1. Department of Inorganic Nonmetallic Materials, School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China)
  2. (Pakistan)
Publication Date:
OSTI Identifier:
22257782
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 114; Journal Issue: 18; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION; CALCINATION; CRYSTALLIZATION; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; HYDROTHERMAL SYNTHESIS; METHYL ORANGE; MORPHOLOGY; OPTICAL PROPERTIES; PHOTOCATALYSIS; POINT DEFECTS; RARE EARTHS; REACTIVITY; SPECIFIC SURFACE AREA; SPHERICAL CONFIGURATION; TITANIUM OXIDES; VANADIUM; YTTRIUM