Ab initio study of tunable band gap of monolayer and bilayer phosphorene by the vertical electronic field

2017 ◽  
Vol 32 (1) ◽  
pp. 213-216 ◽  
Author(s):  
Tao Wang ◽  
Wei Guo ◽  
Luowei Wen ◽  
Yan Liu ◽  
Bin Zhang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Ab Initio Study ◽  
Electronic Field ◽  
Tunable Band Gap

Ab Initio Design of 2D Hybrid Organohalide Perovskites with Tunable Band Gap

2017 ◽  
Author(s):  
Maurizio Cossi ◽  
Alberto Fraccarollo ◽  
Leonardo Marchese
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Tunable Band Gap

scholarly journals Ab initio study of band gap properties in metastable BC8/ST12 SixGe1−x alloys

2020 ◽  
Vol 117 (3) ◽  
pp. 032105
Author(s):  
J. Wagner ◽  
M. Núñez-Valdez
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Ab Initio Study

Ab initio modeling of 2D and quasi-2D lead organohalide perovskites with divalent organic cations and a tunable band gap

2020 ◽  
Vol 22 (36) ◽  
pp. 20573-20587
Author(s):  
Alberto Fraccarollo ◽  
Alberto Zoccante ◽  
Leonardo Marchese ◽  
Maurizio Cossi
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Organic Cations ◽  
2D Systems ◽  
Structure And Properties ◽  
Lead Iodide ◽  
Ab Initio Modeling ◽  
Inorganic Layers ◽  
Tunable Band Gap

We describe theoretically the structure and properties of layered lead organohalide perovskites, considering purely bi-dimensional (2D) PbI4 layers, and quasi-2D systems where the inorganic layers are formed by more than one lead iodide sheet.

Band-gap sensitive adsorption of fluorine molecules on sidewalls of carbon nanotubes: an ab initio study

2006 ◽  
Vol 17 (23) ◽  
pp. 5862-5865 ◽  
Author(s):  
Woon Ih Choi ◽  
Sohee Park ◽  
Tae-Eun Kim ◽  
Noejung Park ◽  
Kwang-Ryeol Lee ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio ◽  
Band Gap ◽  
Ab Initio Study

scholarly journals Giant Magnetic Band Gap in the Rashba-Split Surface State of Vanadium-Doped BiTeI: A Combined Photoemission and Ab Initio Study

2017 ◽  
Vol 7 (1) ◽  
Author(s):  
I. I. Klimovskikh ◽  
A. M. Shikin ◽  
M. M. Otrokov ◽  
A. Ernst ◽  
I. P. Rusinov ◽  
...  
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Surface State ◽  
Ab Initio Study
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