Band gap engineering of double-cation-impurity-doped anatase-titania for visible-light photocatalysts: a hybrid density functional theory approach

2011 ◽  
Vol 13 (30) ◽  
pp. 13698 ◽  
Author(s):  
Run Long ◽  
Niall J. English
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Theory Approach ◽  
Functional Theory ◽  
Band Gap Engineering ◽  
Anatase Titania ◽  
Cation Impurity ◽  
Impurity Doped ◽  
Hybrid Density Functional

scholarly journals G-centers in irradiated silicon revisited: A screened hybrid density functional theory approach

2014 ◽  
Vol 115 (18) ◽  
pp. 183509 ◽  
Author(s):  
H. Wang ◽  
A. Chroneos ◽  
C. A. Londos ◽  
E. N. Sgourou ◽  
U. Schwingenschlögl
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Theory Approach ◽  
Functional Theory ◽  
Hybrid Density Functional

Optoelectronic and solar cell applications of Janus monolayers and their van der Waals heterostructures

2019 ◽  
Vol 21 (34) ◽  
pp. 18612-18621 ◽  
Author(s):  
M. Idrees ◽  
H. U. Din ◽  
R. Ali ◽  
G. Rehman ◽  
T. Hussain ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solar Cell ◽  
Density Functional ◽  
Van Der Waals ◽  
Density Functional Theory Calculations ◽  
Hybrid Density Functional Theory ◽  
Van Der Waals Heterostructures ◽  
Functional Theory ◽  
Hybrid Density Functional

Janus monolayers and their van der Waals heterostuctures are investigated by hybrid density functional theory calculations.

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