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http://dx.doi.org/10.5012/bkcs.2009.30.2.402

Structure Related Photocatalytic Properties of TiO2  

Park, Ju-Young (Department of Chemistry and Institute of Basic Natural Sciences, Wonkwang University)
Lee, Chang-Hoon (Department of Chemistry, North Carolina State University)
Jung, Kwang-Woo (Department of Chemistry and Institute of Basic Natural Sciences, Wonkwang University)
Jung, Dong-Woon (Department of Chemistry and Institute of Basic Natural Sciences, Wonkwang University)
Publication Information
Bulletin of the Korean Chemical Society / v.30, no.2, 2009 , pp. 402-404 More about this Journal
Abstract
The band structures and the densities of states at the Fermi energy for rutile, anatase and brookite phases are investigated along with the structure-photocatlaytic relationship by using DFT method. Bands are less dispersive in anatase phase than in rutile phase, and they are almost flat in brookite phase. As a result, the DOS value near the Fermi energy for brookite is highest among three types of $TiO_{2}$, which means that the numbers of electrons near the Fermi energy are largest in brookite. The calculation shows that brookite phase may exhibit highest photocatalytic efficiency among three types of $TiO_{2}$.
Keywords
$TiO_{2}$; Brookite; DOS; Photocatalyst;
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Times Cited By KSCI : 2  (Citation Analysis)
Times Cited By Web Of Science : 4  (Related Records In Web of Science)
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1 Zheng, Y.; Shi, E.; Chi, S.; Li, W.; Hu, X. J. Mater. Sci. Lett. 2000, 1445.
2 Kominami, H.; Kohno, M.; Kera, Y. J. Mater. Chem. 2000, 10, 1151.   DOI   ScienceOn
3 Lee, J. H.; Yang, Y. S. Mater. Chem. Phys. 2005, 93, 237.   DOI   ScienceOn
4 Kohn, W.; Sham, L. J. Phys. Rev. A 1965, 140, 1133.   DOI
5 Segall, M.; Lindan, P.; Probert, M.; Pickard, C.; Hasnip, P.;Clark, S.; Payne, M. J. Phys.: Condens. Matter 2002, 14, 2717.   DOI   ScienceOn
6 Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.   DOI   ScienceOn
7 Zheng, Y.; Shi, E.; Chen, Z.; Li, W.; Hu, X. J. Mater. Chem. 2001, 11, 1547.   DOI   ScienceOn
8 Zheng, Y.; Shi, E.; Chi, S.; Li, W.; Hu, X. J. Am. Ceram. Soc. 2000, 83, 2634.   DOI   ScienceOn
9 Kim, S. J.; Park, S. D.; Jeong, Y. H. J. Am. Ceram. Soc. 1999, 82, 927.   DOI   ScienceOn
10 Yang, Y.; Mei, S.; Ferreira, J. M. J. Am. Ceram. Soc. 2000, 83, 1361.   DOI   ScienceOn
11 Pottier, A.; Chaneac, C.; Tronc, E.; Mazerolles, L.; Jolivet, J. J. Mater. Chem. 2001, 11, 1116.   DOI   ScienceOn
12 Monkhorst, J. H.; Pack, J. Phys. Rev. B 1976, 13, 5188.   DOI
13 Kim, S. W.; Khan, R.; Kim, T. J.; Kim, W. H. Bull. Korean Chem. Soc. 2008, 29(6), 1217.   DOI   ScienceOn
14 Chakraborty, A. K.; Chai, S. Y.; Lee, W. I. Bull. Korean Chem. Soc. 2008, 29(2), 494.   DOI   ScienceOn