First-Principles Calculation of Synergistic (N, P)-Codoping Effects on the Visible-Light Photocatalytic Activity of Anatase TiO2

2010 ◽  
Vol 114 (27) ◽  
pp. 11984-11990 ◽  
Author(s):  
Run Long ◽  
Niall J. English
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
First Principles ◽  
Anatase Tio2 ◽  
First Principles Calculation ◽  
Visible Light Photocatalytic Activity ◽  
Visible Light Photocatalytic

scholarly journals Origin of Visible Light Photocatalytic Activity of Ag3AsO4from First-Principles Calculation

2014 ◽  
Vol 2014 ◽  
pp. 1-5 ◽  
Author(s):  
Yan Gong ◽  
Hongtao Yu ◽  
Xie Quan
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Density Functional Method ◽  
Functional Method ◽  
First Principles Calculation ◽  
Visible Light Photocatalytic Activity ◽  
Valence Bands ◽  
Visible Light Photocatalytic

Recently a novel sliver oxide Ag3AsO4has been found to be an excellent photocatalyst with strong oxidation capability for pollutant degradation under visible light. But the origin of its high visible light photocatalytic activity was unclear which hindered further research of Ag3AsO4. For clarifying that, the electronic structure and optical properties of Ag3AsO4have been analyzed by the hybrid density functional method. The results reveal that the Ag3AsO4presents a narrow band gap with strong oxidation ability of the valence bands maximum edge and the highly delocalized charge distribution of the conduction bands minimum is beneficial for the carriers transfer to surface to participate in the photocatalytic reaction. These results provide clear explanations of the excellent visible light photocatalytic performance of the Ag3AsO4from microscopic aspect. And it is significant to design novel materials with high photocatalytic performance.

Properties and photochemistry of valence-induced-Ti3+ enriched (Nb,N)-codoped anatase TiO2 semiconductors

2015 ◽  
Vol 17 (7) ◽  
pp. 4849-4853 ◽  
Author(s):  
Andrea Folli ◽  
Jonathan Z. Bloh ◽  
Anaïs Lecaplain ◽  
Rebecca Walker ◽  
Donald E. Macphee
Keyword(s):  
Photocatalytic Activity ◽  
Visible Light ◽  
Anatase Tio2 ◽  
Visible Light Photocatalytic Activity ◽  
Enhanced Conductivity ◽  
Visible Light Photocatalytic

Ti3+ enriched (Nb,N) codoped TiO2: insights into the mechanisms responsible for enhanced conductivity and visible light photocatalytic activity.

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