Photocatalytic Activity of NaTaO3 Doped with N, Mo, and (N,Mo): A Hybrid Density Functional Study

2014 ◽  
Vol 118 (20) ◽  
pp. 10711-10719 ◽  
Author(s):  
Brindaban Modak ◽  
K. Srinivasu ◽  
Swapan K. Ghosh
Keyword(s):  
Photocatalytic Activity ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Hybrid Density Functional

A hybrid density functional study on the visible light photocatalytic activity of (Mo,Cr)–N codoped KNbO3

2015 ◽  
Vol 17 (43) ◽  
pp. 28743-28753 ◽  
Author(s):  
Guangzhao Wang ◽  
Hong Chen ◽  
Yang Li ◽  
Anlong Kuang ◽  
Hongkuan Yuan ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Activity ◽  
Visible Light ◽  
Density Functional ◽  
Photocatalytic Performance ◽  
Functional Study ◽  
Redox Level ◽  
Hybrid Density Functional ◽  
Decomposition Of Water ◽  
Visible Light Photocatalytic

To improve the photocatalytic performance of KNbO3 for the decomposition of water into hydrogen and oxygen, the electronic structure of KNbO3 should be modified to have a suitable bandgap with band edge positions straddling the water redox level so as to sufficiently absorb visible light.

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