Strong selective oxidization on two-dimensional GaN: a first principles study

2019 ◽  
Vol 21 (11) ◽  
pp. 6224-6228 ◽  
Author(s):  
Jiabo Chen ◽  
Jiaduo Zhu ◽  
Jing Ning ◽  
Xiaoling Duan ◽  
Dong Wang ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Ab Initio ◽  
First Principles ◽  
Chemical Oxidation ◽  
Two Dimensional ◽  
First Principles Study

Ab initio calculations were performed to investigate the chemical oxidation of two-dimensional (2D) gallium nitride (GaN).

First-principles study of graphenylene/MoX2 (X=S, Te,Se) van der Waals heterostructures

2021 ◽  
Author(s):  
Ruslan M Meftakhutdinov ◽  
Renat Timergalievich Sibatov ◽  
Dmitry A Evseev ◽  
Aleksey Kochaev
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
First Principles ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

New van der Waals (vdW) heterostructures obtained by stacking monolayers of recently synthesized graphenylene (Gr) and two-dimensional 1H-MoX$_{2}$ (X=S, Te, Se) are proposed and analyzed using ab initio calculations. These...

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study

Small Polarons in Two-Dimensional Pnictogens: A First-Principles Study

2021 ◽  
pp. 4674-4680
Author(s):  
Vasilii Vasilchenko ◽  
Sergey Levchenko ◽  
Vasili Perebeinos ◽  
Andriy Zhugayevych
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Study ◽  
Small Polarons

scholarly journals Switchable two-dimensional electrides: A first-principles study

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Xuhui Yang ◽  
Kevin Parrish ◽  
Yan-Ling Li ◽  
Baisheng Sa ◽  
Hongbing Zhan ◽  
...  
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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