Enhanced visible-light photocatalytic activity of anatase TiO{sub 2} through N and S codoping

Journal Article · Mon May 23 04:00:00 EDT 2011 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.3593147· OSTI ID:21518454

Lichao, Jia; Congcong, Wu; Yuanyuan, Li; Bo, Chi; Jian, Pu; Li, Jian ^[1]; Song, Han ^[2]; Zongbao, Li ^[3]

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1. School of Materials Science and Engineering, State Key Lab of Material Processing and Die and Mould Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)
2. College of Forestry, Northeast Forestry University, Harbin 150040 (China)
3. Department of Physics, Tongren University, Guizhou 554300 (China)

The density of states and optical properties of N, S, and (N, S)-doped anatase TiO{sub 2} are calculated based on the density functional theory. The results indicate that the doping S atoms occupy the Ti-atom sites in anatase TiO{sub 2} lattice. The mixing of O 2p, N 2p, S 3p, and Ti 3d states in the forbidden gap of (N, S)-codoped TiO{sub 2} can result in the higher visible-light photocatalytic activities than those monodoped TiO{sub 2}. For comparison, (N, S)-codoped TiO{sub 2} was also synthesized by one-step hydrothermal method, and the optical absorption spectra obtained by experiments verified the reliability of our calculation.

• OSTI ID: 21518454
• Journal Information: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 21 Vol. 98; ISSN APPLAB; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION SPECTRA
ALLOYS
CALCULATION METHODS
CATALYSIS
CHALCOGENIDES
CHEMISTRY
COMPARATIVE EVALUATIONS
COMPUTERIZED SIMULATION
CRYSTAL GROWTH
DENSITY
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
ELECTROMAGNETIC RADIATION
EVALUATION
HYDROTHERMAL SYNTHESIS
MATERIALS
MIXING
NITROGEN ADDITIONS
OPTICAL PROPERTIES
OXIDES
OXYGEN COMPOUNDS
PHOTOCATALYSIS
PHOTOCHEMISTRY
PHYSICAL PROPERTIES
RADIATIONS
RELIABILITY
SEMICONDUCTOR MATERIALS
SIMULATION
SPECTRA
SULFUR ADDITIONS
SYNTHESIS
TITANIUM COMPOUNDS
TITANIUM OXIDES
TRANSITION ELEMENT COMPOUNDS
VARIATIONAL METHODS
VISIBLE RADIATION