scholarly journals Ab initio assessment of Bi1−xRExCuOS (RE = La, Gd, Y, Lu) solid solutions as a semiconductor for photochemical water splitting

2017 ◽  
Vol 19 (19) ◽  
pp. 12321-12330 ◽  
Author(s):  
Sheikha Lardhi ◽  
Antton Curutchet ◽  
Luigi Cavallo ◽  
Moussab Harb ◽  
Tangui Le Bahers
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
Water Splitting ◽  
Solid Solutions

The electronic properties of Bi1−xRExCuOS (RE = La, Gd, Y and Lu) were computed by hybrid DFT to design new semiconductors for water splitting.

‘AB INITIO’ CALCULATIONS OF ELECTRONIC PROPERTIES OF METALLIC SOLID SOLUTIONS

1995 ◽  
pp. 191-237
Author(s):  
E. BRUNO ◽  
P. DONATO ◽  
G. FLORIO ◽  
B. GINATEMPO ◽  
E. S. GIULIANO
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic Properties ◽  
Solid Solutions

scholarly journals Solventless synthesis of nanospinel Ni1−xCoxFe2O4 (0 ≤ x ≤ 1) solid solutions for efficient electrochemical water splitting and supercapacitance

RSC Advances ◽  
2021 ◽  
Vol 11 (49) ◽  
pp. 31002-31014
Author(s):  
Nyemaga Masanje Malima ◽  
Malik Dilshad Khan ◽  
Jonghyun Choi ◽  
Ram K. Gupta ◽  
Philani Mashazi ◽  
...  
Keyword(s):  
Electrochemical Performance ◽  
Electronic Properties ◽  
Water Splitting ◽  
Solid Solutions ◽  
Spinel Ferrites ◽  
Electrochemical Water Splitting ◽  
Solventless Synthesis

The formation of solid solutions represents a robust strategy for modulating the electronic properties and improving the electrochemical performance of spinel ferrites.

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.

Direct Laser Cooling Schemes for the Triatomic SOH and SeOH Molecules Based on Ab Initio Electronic Properties

2020 ◽  
Author(s):  
Li Liu ◽  
Chuan-Lu Yang ◽  
Zhaopeng Sun ◽  
Meishan Wang ◽  
Xiano-Guang Ma
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Electronic Properties ◽  
Laser Cooling ◽  
Promising Method ◽  
Optical Scheme ◽  
Electronic And Optical Properties ◽  
Cold Molecules ◽  
Direct Laser

The direct laser cooling is a very promising method to obtain cold molecules for various applications. However, a molecule with satisfactory electronic and optical properties for the optical scheme is...

scholarly journals Conductivity mechanisms and influence of the Cu/Zn disorder on electronic properties of the powder Cu2ZnSn(S1-xSex)4 solid solutions

2021 ◽  
Author(s):  
Maxim Guc ◽  
Galina Gurieva ◽  
Elena Hajdeu-Chicarosh ◽  
Susan Schorr ◽  
Konstantin G. Lisunov ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Solid Solutions
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