Electronic and optoelectronic properties of van der Waals heterostructure based on graphene-like GaN, blue phosphorene, SiC, and ZnO: A first principles study

2020 ◽  
Vol 127 (24) ◽  
pp. 245302 ◽  
Author(s):  
M. Idrees ◽  
Chuong V. Nguyen ◽  
H. D. Bui ◽  
Bin Amin
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Optoelectronic Properties ◽  
First Principles Study ◽  
Van Der Waals Heterostructure ◽  
Blue Phosphorene

scholarly journals Adjusting the electronic properties and contact types of graphene/F-diamane-like C4F2 van der Waals heterostructure: a first principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (60) ◽  
pp. 37981-37987
Author(s):  
Thi-Nga Do ◽  
Son-Tung Nguyen ◽  
Cuong Q. Nguyen
Keyword(s):  
Electronic Properties ◽  
Atomic Structure ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

We perform a first principles study to investigate the atomic structure, electronic properties and contact types of the graphene/F-diamane-like C4F2 heterostructure.

The strain effect on the electronic properties of the MoSSe/WSSe van der Waals heterostructure: a first-principles study

2020 ◽  
Vol 22 (9) ◽  
pp. 4946-4956 ◽  
Author(s):  
Wenyu Guo ◽  
Xun Ge ◽  
Shoutian Sun ◽  
Yiqun Xie ◽  
Xiang Ye
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Strain Effect ◽  
Vertical Strain ◽  
First Principles Study ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, mechanical and electronic properties of the MoSSe/WSSe van der Waals (vdW) heterostructure under various degrees of horizontal and vertical strain are systematically investigated based on first-principles methods.

A promising blue phosphorene/C2N van der Waals type-II heterojunction as a solar photocatalyst: a first-principles study

2020 ◽  
Vol 22 (2) ◽  
pp. 615-623 ◽  
Author(s):  
Chong Li ◽  
Ying Xu ◽  
Wei Sheng ◽  
Wen-Jin Yin ◽  
Guo-Zheng Nie ◽  
...  
Keyword(s):  
Band Structure ◽  
First Principles ◽  
Van Der Waals ◽  
Type Ii ◽  
First Principles Study ◽  
Carrier Separation ◽  
Solar Photocatalyst ◽  
Effective Carrier ◽  
Blue Phosphorene

An appropriate band structure and effective carrier separation are very important for the performance of a solar photocatalyst.

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