Structural, electronic and optical properties of Bi2O3 polymorphs by first-principles calculations for photocatalytic water splitting

2017 ◽  
Vol 4 (3) ◽  
pp. 034002 ◽  
Author(s):  
N S Azhar ◽  
M F M Taib ◽  
O H Hassan ◽  
M Z A Yahya ◽  
A M M Ali
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
First Principles ◽  
First Principles Calculations ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties

scholarly journals First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis

RSC Advances ◽  
2021 ◽  
Vol 11 (42) ◽  
pp. 26432-26443
Author(s):  
Chol-Hyok Ri ◽  
Yun-Sim Kim ◽  
Un-Gi Jong ◽  
Yun-Hyok Kye ◽  
Se-Hun Ryang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
Potassium Iodide ◽  
Solid Solutions ◽  
First Principles ◽  
Lead Free ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
First Principles Study

We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.

scholarly journals First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure

RSC Advances ◽  
2021 ◽  
Vol 11 (52) ◽  
pp. 32996-33003
Author(s):  
S. S. Ullah ◽  
M. Farooq ◽  
H. U. Din ◽  
Q. Alam ◽  
M. Idrees ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Promising Candidate ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties ◽  
Van Der Waals Heterostructure

The two dimensional GaN–SiS van der Waals heterostructure is a promising candidate for optoelectronic and photocatalytic water splitting.

scholarly journals The electronic and optical properties of Au decorated(1 01¯4) dolomite surface: A first principles calculations

2021 ◽  
Vol 21 ◽  
pp. 103827
Author(s):  
Jianrong Wang ◽  
Weibin Zhang ◽  
Qingfeng Wu ◽  
Shufang Gao ◽  
Yuanyuan Jin ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Optical Properties

Auxetic, flexible, and strain-tunable two-dimensional th-AlN for photocatalytic visible light water splitting with anisotropic high carrier mobility

2021 ◽  
Vol 9 (14) ◽  
pp. 4971-4977
Author(s):  
Mehmet Emin Kilic ◽  
Kwang-Ryeol Lee
Keyword(s):  
Optical Properties ◽  
Visible Light ◽  
Water Splitting ◽  
Carrier Mobility ◽  
Two Dimensional ◽  
Light Water ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties ◽  
High Carrier Mobility ◽  
High Carrier

Tetrahexagonal AlN: a novel two-dimensional family for photocatalytic water splitting with exceptional mechanical, electronic, and optical properties.

First-principles calculations of structural, electronic and optical properties of CdxZn1−xS alloys

2010 ◽  
Vol 507 (2) ◽  
pp. 356-363 ◽  
Author(s):  
N.A. Noor ◽  
N. Ikram ◽  
S. Ali ◽  
S. Nazir ◽  
S.M. Alay-e-Abbas ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Optical Properties
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