Probing the electronic structure and photocatalytic performance of g-SiC/MoSSe van der Waals heterostructures: A first-principle study

2021 ◽  
Vol 536 ◽  
pp. 147708
Author(s):  
Tingting Zhao ◽  
Jian Chen ◽  
Xudong Wang ◽  
Man Yao
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
First Principle ◽  
Van Der Waals Heterostructures

scholarly journals Intriguing electronic structure and photocatalytic performance of blueP–SMSe and blueP–SeMS (M = Mo, W) van der Waals heterostructures

RSC Advances ◽  
2020 ◽  
Vol 10 (62) ◽  
pp. 38114-38119
Author(s):  
S. Ahmad ◽  
Iftikhar Ahmad ◽  
N. Van ◽  
B. Amin
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Photocatalytic Properties ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures

The stacking geometry and electronic and photocatalytic properties of vdW heterostructures based on blueP and Janus SMSe and SeMS (M = Mo, W) monolayers are investigated using first principles calculations.

scholarly journals Van der Waals heterostructures of SiC and Janus MSSe (M = Mo, W) monolayers: a first principles study

RSC Advances ◽  
2020 ◽  
Vol 10 (43) ◽  
pp. 25801-25807 ◽  
Author(s):  
M. Idrees ◽  
M. Fawad ◽  
M. Bilal ◽  
Y. Saeed ◽  
C. Nguyen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Rashba Effect ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Stacking Patterns

Using DFT calculations, we have investigated the electronic structure, Rashba effect, optical and photocatalytic performance of SiC-MSSe (M = Mo, W) van der Waals heterostructures with different stacking patterns of chalcogen atoms.

scholarly journals A first-principles study of electronic structure and photocatalytic performance of GaN–MX2 (M = Mo, W; X= S, Se) van der Waals heterostructures

RSC Advances ◽  
2020 ◽  
Vol 10 (41) ◽  
pp. 24683-24690
Author(s):  
Fawad Khan ◽  
M. Idrees ◽  
C. Nguyen ◽  
Iftikhar Ahmad ◽  
Bin Amin
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

Modeling novel van der Waals (vdW) heterostructures is an emerging field to achieve materials with exciting properties for various devices.

scholarly journals Stacking effects in van der Waals heterostructures of blueP and Janus XYO (X = Ti, Zr, Hf: Y = S, Se) monolayers

RSC Advances ◽  
2021 ◽  
Vol 11 (20) ◽  
pp. 12189-12199
Author(s):  
Qaisar Alam ◽  
M. Idrees ◽  
S. Muhammad ◽  
Chuong V. Nguyen ◽  
M. Shafiq ◽  
...  
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Stacking Patterns

Using first-principles calculations, the geometry, electronic structure, optical and photocatalytic performance of blueP and XYO (X = Ti, Zr, Hf; Y = S, Se) monolayers and their corresponding van der Waal heterostructures in three possible stacking patterns, are investigated.

Electronic structure, optical and photocatalytic performance of SiC–MX2 (M = Mo, W and X = S, Se) van der Waals heterostructures

2018 ◽  
Vol 20 (37) ◽  
pp. 24168-24175 ◽  
Author(s):  
H. U. Din ◽  
M. Idrees ◽  
Gul Rehman ◽  
Chuong V. Nguyen ◽  
Li-Yong Gan ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Photocatalytic Performance ◽  
Van Der Waals ◽  
Electronic Devices ◽  
Van Der Waals Heterostructures ◽  
Band Gap Engineering

The stacking of monolayers in the form of van der Waals heterostructures is a useful strategy for band gap engineering and the control of dynamics of excitons for potential nano-electronic devices.

Biaxial strain, electric field and interlayer distance-tailored electronic structure and magnetic properties of two-dimensional g-C3N4/Li-adsorbed Cr2Ge2Te6 van der Waals heterostructures

2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Electric Field ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Van Der Waals Heterostructures

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.

scholarly journals Electronic structure of transferred graphene/h-BN van der Waals heterostructures with nonzero stacking angles by nano-ARPES

2016 ◽  
Vol 28 (44) ◽  
pp. 444002 ◽  
Author(s):  
Eryin Wang ◽  
Guorui Chen ◽  
Guoliang Wan ◽  
Xiaobo Lu ◽  
Chaoyu Chen ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures

The electronic structure of van der Waals heterostructures formed by the nanoflakes of black phosphorene with those of graphene and haeckelites: their complexes with Li

2020 ◽  
Vol 26 (8) ◽  
Author(s):  
Wilmer Esteban Vallejo Narváez ◽  
Luis Daniel Solís Rodríguez ◽  
Cesar Gabriel Vera de la Garza ◽  
Lioudmila Fomina ◽  
Serguei Fomine
Keyword(s):  
Electronic Structure ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
Black Phosphorene
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