The electronic and optical properties of Eu/Si-codoped anatase TiO(2) photocatalyst

The electronic and optical properties of Eu/Si-codoped anatase TiO(2) are investigated using the density functional theory. The calculated results show that the synergistic effects of Eu/Si codoping can effectively extend the optical absorption edge, which can lead to higher visible-light photocatal...

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Bibliographic Details
Published in:Applied physics letters 2012-03, Vol.100 (10), p.102105-1021054
Main Authors: Lin, Yanming, Jiang, Zhenyi, Hu, Xiaoyun, Zhang, Xiaodong, Fan, Jun
Format: Article
Language:English
Subjects:
ABSORPTION
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTALS
DENSITY FUNCTIONAL METHOD
EUROPIUM
MATERIALS SCIENCE
NANOSTRUCTURES
OPTICAL PROPERTIES
PHOTOCATALYSIS
SEMICONDUCTOR MATERIALS
SILICON
SOL-GEL PROCESS
TITANIUM OXIDES
ULTRAVIOLET SPECTRA
VISIBLE RADIATION
VISIBLE SPECTRA
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Summary:The electronic and optical properties of Eu/Si-codoped anatase TiO(2) are investigated using the density functional theory. The calculated results show that the synergistic effects of Eu/Si codoping can effectively extend the optical absorption edge, which can lead to higher visible-light photocatalytic activities than pure anatase TiO(2). To verify the reliability of our calculated results, nanocrystalline Eu/Si-codoped TiO(2) is prepared by a sol-gel-solvothermal method, and the experimental results also indicate that the codoping sample exhibits better absorption performance and higher photocatalytic activities than pure TiO(2).
ISSN:0003-6951
1077-3118
DOI:10.1063/1.3692750