Hybrid Density Functional Study on Mono- and Codoped NaNbO3for Visible-Light Photocatalysis

ChemPhysChem ◽  
2016 ◽  
Vol 17 (4) ◽  
pp. 489-499 ◽  
Author(s):  
Guang-Zhao Wang ◽  
Hong Chen ◽  
Gang Wu ◽  
An-Long Kuang ◽  
Hong-Kuang Yuan
Keyword(s):  
Visible Light ◽  
Density Functional ◽  
Functional Study ◽  
Visible Light Photocatalysis ◽  
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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