? Studies of the Electronic and Optical Properties ofOrdered Ternary Alloys X0.5Y0.5O2 (X, Y=Si, Ge, Sn)?Using First-principles Calculations?

2010 ◽  
Vol 56 (4(1)) ◽  
pp. 1311-1314 ◽  
Author(s):  
Songyou Wang
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Ternary Alloys ◽  
First Principles Calculations ◽  
Electronic And Optical Properties

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

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.

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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