First-principles study of the stability and electronic structure of metal hydrides

2002 ◽  
Vol 66 (14) ◽  
Author(s):  
H. Smithson ◽  
C. A. Marianetti ◽  
D. Morgan ◽  
A. Van der Ven ◽  
A. Predith ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Metal Hydrides ◽  
First Principles Study ◽  
Structure Of Metal ◽  
The Stability

scholarly journals First-principles study on the stability and electronic structure of monolayer GaSe with trigonal-antiprismatic structure

2020 ◽  
Vol 102 (23) ◽  
Author(s):  
Hirokazu Nitta ◽  
Takahiro Yonezawa ◽  
Antoine Fleurence ◽  
Yukiko Yamada-Takamura ◽  
Taisuke Ozaki
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
First Principles Study ◽  
The Stability

scholarly journals A first-principles study of the stability, electronic structure, and optical properties of halide double perovskite Rb2Sn1−xTexI6 for solar cell applications

2021 ◽  
Author(s):  
Muhammad Faizan ◽  
Jiahao Xie ◽  
Ghulam Murtaza ◽  
Carlos Echeverría-Arrondo ◽  
Thamraa Alshahrani ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Solar Cell ◽  
First Principles ◽  
Double Perovskite ◽  
Optoelectronic Properties ◽  
First Principles Study ◽  
Photovoltaic Application ◽  
The Stability

Substitutional alloying can enhance the stability and improve the optoelectronic properties of vacancy-ordered double perovskite A2BX6 for potential photovoltaic application.

First-principles study of the stability and electronic structure of Ni–Fe Alloy within three different space groups

2021 ◽  
Vol 571 (1) ◽  
pp. 175-182
Author(s):  
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Zhenhua Wang ◽  
Huining Zhao ◽  
Jiuye Chen ◽  
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Keyword(s):  
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First Principles ◽  
Space Groups ◽  
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scholarly journals First-principles study on the stability and electronic structure of Mg/ZrB2 interfaces

2016 ◽  
Vol 59 (1) ◽  
pp. 28-37 ◽  
Author(s):  
Xiao Li ◽  
Qun Hui ◽  
Dongyuan Shao ◽  
Jingjing Chen ◽  
Peida Wang ◽  
...  
Keyword(s):  
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First Principles ◽  
First Principles Study ◽  
The Stability

scholarly journals Correction: A first-principles study of the stability, electronic structure, and optical properties of halide double perovskite Rb2Sn1−xTexI6 for solar cell applications

2021 ◽  
Author(s):  
Muhammad Faizan ◽  
Jiahao Xie ◽  
Ghulam Murtaza ◽  
Carlos Echeverría-Arrondo ◽  
Thamraa Alshahrani ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Solar Cell ◽  
First Principles ◽  
Double Perovskite ◽  
Chem Phys ◽  
First Principles Study ◽  
The Stability ◽  
Phys Chem Chem Phys

Correction for ‘A first-principles study of the stability, electronic structure, and optical properties of halide double perovskite Rb2Sn1−xTexI6 for solar cell applications’ by Muhammad Faizan et al., Phys. Chem. Chem. Phys., 2021, 23, 4646–4657, DOI: 10.1039/D0CP05827K.

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