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Abstract：
The Cr doped into TiO2(110) surface has been studied systematically by using periodic DFr/B3LYP method with slab model. It is found that doping Cr into perfect TiO2 (110) surface can reduce the value of band-gap from 3.13 to 1.16 eV, and then photocatalysis reaction may be achieved in visual light area. The results are in good agreement with the experiments.
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CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
ISSN： 0254-5861
CN： 35-1112/TQ
Year： 2005
Issue： 6
Volume： 24
Page： 673-678
0 . 6 6 9
JCR@2005
5 . 9 0 0
JCR@2023
ESI Discipline： CHEMISTRY;
JCR Journal Grade：3
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SCOPUS Cited Count：
ESI Highly Cited Papers on the List： 0 Unfold All
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30 Days PV： 0
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