Strain-tunable electronic structure and anisotropic transport properties in Janus MoSSe and g-SiC van der Waals heterostructure

Van Der Waals Heterostructure ◽

Anisotropic Transport ◽

Optoelectronic Applications

The van der Waals heterostructures (vdWHs) create a multi-purpose platform to design unique structures for efficient photovoltaic and optoelectronic applications. In this paper, on the basis of the first-principles calculations,...

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

RSC Advances ◽

10.1039/d0ra07000a ◽

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 ◽

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.

Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN–GeC van der Waals heterostructures: a first principles study

RSC Advances ◽

10.1039/d0ra04145a ◽

2020 ◽

Vol 10 (40) ◽

pp. 24127-24133 ◽

Cited By ~ 2

Author(s):

Pham T. Huong ◽

M. Idrees ◽

B. Amin ◽

Nguyen N. Hieu ◽

Huynh V. Phuc ◽

...

Keyword(s):

Electronic Structure ◽

First Principles ◽

Van Der Waals ◽

Single Layer ◽

Optoelectronic Properties ◽

Optical Characteristics ◽

First Principles Study ◽

Vdw Heterostructure

In this work, we systematically studied the electronic structure and optical characteristics of van der Waals (vdW) heterostructure composed of a single layer of GaN and GeC using first principles calculations.

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

RSC Advances ◽

10.1039/d0ra10827h ◽

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 ◽

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.

First-principles calculations of the electronic and optical properties of $$\text {WSe}_2/\text {Cd}_{0.9}\text {Zn}_{0.1}\text {Te}$$ van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-021-01659-x ◽

2021 ◽

Author(s):

Anurag Chauhan ◽

Ankit Maahich ◽

Jatin Pal

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

First-principles calculations to investigate electronic structure and transport properties of CrC monolayers: A new horizon for spintronic application

Materials Science and Engineering B ◽

10.1016/j.mseb.2021.115379 ◽

2021 ◽

Vol 272 ◽

pp. 115379

Author(s):

Atish Ghosh ◽

Moumita Kar ◽

Chiranjib Majumder ◽

Pranab Sarkar

Keyword(s):

Electronic Structure ◽

Transport Properties ◽

First Principles ◽

Spintronic Application

Intriguing electronic structures and optical properties of two-dimensional van der Waals heterostructures of Zr2CT2 (T = O, F) with MoSe2 and WSe2

Journal of Materials Chemistry C ◽

10.1039/c7tc05963a ◽

2018 ◽

Vol 6 (11) ◽

pp. 2830-2839 ◽

Cited By ~ 29

Author(s):

Gul Rehman ◽

S. A. Khan ◽

B. Amin ◽

Iftikhar Ahmad ◽

Li-Yong Gan ◽

...

Keyword(s):

Optical Properties ◽

Material Properties ◽

First Principles ◽

Electronic Structures ◽

Van Der Waals ◽

Transition Metal Dichalcogenides ◽

Two Dimensional ◽

Metal Dichalcogenides

Based on (hybrid) first-principles calculations, material properties (structural, electronic, vibrational, optical, and photocatalytic) of van der Waals heterostructures and their corresponding monolayers (transition metal dichalcogenides and MXenes) are investigated.

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

Journal of Computational Electronics ◽

10.1007/s10825-019-01348-w ◽

2019 ◽

Vol 18 (3) ◽

pp. 758-769

Author(s):

Aihu Xiong ◽

Xiaolong Zhou

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

Two-dimensional layered Janus-In2SeTe/C2N van der Waals heterostructures for photocatalysis and photovoltaics: first-principles calculations

New Journal of Chemistry ◽

10.1039/d0nj03296d ◽

2020 ◽

Vol 44 (37) ◽

pp. 16092-16100

Author(s):

Xiao-Hua Li ◽

Bao-Ji Wang ◽

Hui Li ◽

Xue-Feng Yang ◽

Rui-Qi Zhao ◽

...

Keyword(s):

Dft Calculations ◽

First Principles ◽

Sustainable Energy ◽

Van Der Waals ◽

Two Dimensional ◽

Potential Applications

Through DFT calculations, Janus-In2SeTe/C2N heterostructures are found to have great potential applications in the fields of clean and sustainable energy.