Two-dimensional g-C3N4/Ti2CO2 heterostructure as a direct Z-scheme photocatalyst for water splitting: A hybrid density functional theory investigation

2021 ◽  
pp. 114872
Author(s):  
X. Liu ◽  
W. Kang ◽  
L. Qi ◽  
J. Zhao ◽  
Y. Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Water Splitting ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Two Dimensional ◽  
Functional Theory ◽  
Hybrid Density Functional

scholarly journals Electronic structure of two-dimensional In and Bi metal on BN nanosheets

RSC Advances ◽  
2019 ◽  
Vol 9 (17) ◽  
pp. 9342-9347 ◽  
Author(s):  
Maolin Bo ◽  
Jibiao Li ◽  
Chuang Yao ◽  
Zhongkai Huang ◽  
Lei Li ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Electronic Structures ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Two Dimensional ◽  
Functional Theory ◽  
Hybrid Density Functional

The electronic structures of two-dimensional (2D) indium (In) and bismuth (Bi) metal on BN nanosheets are systematically studied using hybrid density functional theory (DFT).

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.

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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