Trends in non-metal doping of the SrTiO3 surface: a hybrid density functional study

2015 ◽  
Vol 17 (33) ◽  
pp. 21611-21621 ◽  
Author(s):  
Yating Guo ◽  
Xiaowei Qiu ◽  
Hao Dong ◽  
Xin Zhou
Keyword(s):  
Water Splitting ◽  
Density Functional ◽  
Visible Region ◽  
Functional Study ◽  
Metal Doping ◽  
Density Functional Study ◽  
Hybrid Density Functional

N-, Br- and I-doped SrTiO3 surfaces are theoretically found to be promising photocatalysts for water splitting in the visible region.

Tailoring the electronic structure of β-Ga2O3 by non-metal doping from hybrid density functional theory calculations

2015 ◽  
Vol 17 (8) ◽  
pp. 5817-5825 ◽  
Author(s):  
Weiyan Guo ◽  
Yating Guo ◽  
Hao Dong ◽  
Xin Zhou
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Water Splitting ◽  
Density Functional ◽  
Visible Region ◽  
Density Functional Theory Calculations ◽  
Hybrid Density Functional Theory ◽  
Metal Doping ◽  
Functional Theory ◽  
Hybrid Density Functional

Se-doped and I-doped β-Ga2O3 are theoretically found to be promising photocatalysts for water splitting in the visible region.

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