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New Data from C.X. Li et al Illuminate Findings in Photocatalytics (Effects of native defects on the electronic structure and photocatalytic activity...

July 22, 2014



New Data from C.X. Li et al Illuminate Findings in Photocatalytics (Effects of native defects on the electronic structure and photocatalytic activity in anatase TiO2 by first principles calculations)

By a News Reporter-Staff News Editor at Life Science Weekly -- Investigators discuss new findings in Photocatalytics. According to news originating from Chongqing, People's Republic of China, by NewsRx correspondents, research stated, "The crystal structure, electronic structure, optical properties and photocatalytic activity of the native defects in anatase TiO2 were investigated based on the density-functional theory (DFT). The results show that oxygen vacancies (V-O) have the lowest formation energy, and thus are easiest to form in the bulk structure."

Our news journalists obtained a quote from the research, "The conduction and valence band moves to the high or low energy region, and the energy gap becomes narrower for the native point defect models. In particular, oxygen interstitials (O-i) have a direct band gap, and new gap states appear in the band gap, which can be responsible for the high photocatalytic efficiency in anatase TiO2. The phenomenon of 'impurity compensation' takes place for the oxygen and titanium interstitials. Ti vacancy (V-Ti) can promote the utilization of solar light by analyzing the absorption spectra."

According to the news editors, the research concluded: "All the calculated results show that O-i and V-Ti are beneficial in improving the photocatalytic activity of TiO2 in the UV-visible light range."

For more information on this research see: Effects of native defects on the electronic structure and photocatalytic activity in anatase TiO2 by first principles calculations. Optik, 2014;125(13):3145-3149. Optik can be contacted at: Elsevier Gmbh, Urban & Fischer Verlag, Office Jena, P O Box 100537, 07705 Jena, Germany. (Elsevier - www.elsevier.com; Optik - www.elsevier.com/wps/product/cws_home/701788)

The news correspondents report that additional information may be obtained from C.X. Li, Yangtze Normal Univ, Coll Phys & Elect Engn, Chongqing 408003, People's Republic of China. Additional authors for this research include S.H. Dang, C.L. Zhang, L.P. Wang and P.D. Han (see also Photocatalytics).

Keywords for this news article include: Asia, Chongqing, Photocatalyst, Nanotechnology, Emerging Technologies, People's Republic of China

Our reports deliver fact-based news of research and discoveries from around the world. Copyright 2014, NewsRx LLC


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Source: Life Science Weekly


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