First-principles calculations of the structural, electronic, and optical properties of a ZnS/GaP van der Waals heterostructure

2019 ◽  
Vol 18 (3) ◽  
pp. 758-769
Author(s):  
Aihu Xiong ◽  
Xiaolong Zhou
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Calculations ◽  
Electronic And Optical Properties ◽  
Van Der Waals Heterostructure

A first-principles study on the electronic and optical properties of a type-II C2N/g-ZnO van der Waals heterostructure

2021 ◽  
Vol 23 (6) ◽  
pp. 3963-3973
Author(s):  
Jianxun Song ◽  
Hua Zheng ◽  
Minxia Liu ◽  
Geng Zhang ◽  
Dongxiong Ling ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Calculations ◽  
First Principles ◽  
Van Der Waals ◽  
Band Alignment ◽  
Type Ii ◽  
Electronic And Optical Properties ◽  
Direct Bandgap ◽  
Van Der Waals Heterostructure ◽  
Vdw Heterostructure

The structural, electronic and optical properties of a new vdW heterostructure, C2N/g-ZnO, with an intrinsic type-II band alignment and a direct bandgap of 0.89 eV at the Γ point are extensively studied by DFT calculations.

scholarly journals First principles study of electronic and optical properties and photocatalytic performance of GaN–SiS van der Waals heterostructure

RSC Advances ◽  
2021 ◽  
Vol 11 (52) ◽  
pp. 32996-33003
Author(s):  
S. S. Ullah ◽  
M. Farooq ◽  
H. U. Din ◽  
Q. Alam ◽  
M. Idrees ◽  
...  
Keyword(s):  
Optical Properties ◽  
Water Splitting ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Promising Candidate ◽  
Photocatalytic Water Splitting ◽  
Electronic And Optical Properties ◽  
Van Der Waals Heterostructure

The two dimensional GaN–SiS van der Waals heterostructure is a promising candidate for optoelectronic and photocatalytic water splitting.

A van der Waals heterostructure of MoS2/MoSi2N4: a first-principles study

2021 ◽  
Author(s):  
A. Bafekry ◽  
M. Faraji ◽  
A. Abdollahzadeh Ziabari ◽  
M. M. Fadlallah ◽  
Chuong V. Nguyen ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Van Der Waals ◽  
Electronic And Optical Properties ◽  
First Principles Study ◽  
Van Der Waals Heterostructure

Motivated by the successful preparation of MoSi2N4 monolayers in the last year [Y.-L. Hong et al., Science, 2020, 369, 670–674], the structural, electronic and optical properties of MoS2/MoSi2N4 heterostructure are investigated.

scholarly journals Strain forces tuned the electronic and optical properties in GaTe/MoS2 van der Waals heterostructures

RSC Advances ◽  
2020 ◽  
Vol 10 (42) ◽  
pp. 25136-25142
Author(s):  
Yuan Li ◽  
Jijian Liu ◽  
Xiuwen Zhao ◽  
Xingzhao Yuan ◽  
Guichao Hu ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Electronic And Optical Properties

We report a novel GaTe/MoS2 vdWH and theoretically investigate the electronic and optical properties based on first-principles calculations.

scholarly journals The electronic and optical properties of Au decorated(1 01¯4) dolomite surface: A first principles calculations

2021 ◽  
Vol 21 ◽  
pp. 103827
Author(s):  
Jianrong Wang ◽  
Weibin Zhang ◽  
Qingfeng Wu ◽  
Shufang Gao ◽  
Yuanyuan Jin ◽  
...  
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Optical Properties
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