A hybrid density functional theory study of the anion distribution and applied electronic properties of the LaTiO2N semiconductor photocatalyst

2015 ◽  
Vol 17 (29) ◽  
pp. 19631-19636 ◽  
Author(s):  
Xin Wang ◽  
Zhaosheng Li ◽  
Zhigang Zou

The LaTiO2N structure is theoretically obtained as aperiodic stacks of primitive cells.

2014 ◽  
Vol 2 (39) ◽  
pp. 8328-8332 ◽  
Author(s):  
Jing Yan ◽  
Lixin Ning ◽  
Yucheng Huang ◽  
Chunmeng Liu ◽  
Dejian Hou ◽  
...  

Luminescence and electronic properties of Ba2MgSi2O7:Eu2+ were investigated under optical and low-voltage cathode ray excitations and by hybrid DFT calculations.


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