The Synthetic Effects of Iron with Sulfur and Fluorine on Photoabsorption and Photocatalytic Performance in Codoped

The Synthetic Effects of Iron with Sulfur and Fluorine on Photoabsorption and Photocatalytic Performance in Codoped

The structural and electronic properties of iron-fluorine (Fe-F) and iron-sulfur (Fe-S) codoped anatase TiO2 are investigated by first-principles based on density functional theory. Our results show that the formation energy of codoped system is lower than that of single-element doping, which indica...

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Bibliographic Details
Main Authors: Xiaohua Li, Jibao Lu, Ying Dai, Meng Guo, Baibiao Huang
Format: Article
Language:English
Published: Wiley 2012-01-01
Series:International Journal of Photoenergy
Online Access:http://dx.doi.org/10.1155/2012/203529
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