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

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

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

Physical Chemistry Chemical Physics ◽

10.1039/d0cp00403k ◽

2020 ◽

Vol 22 (9) ◽

pp. 4946-4956 ◽

Cited By ~ 8

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.

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Tunable electronic properties of MoS2/ReS2 van der Waals heterostructure from first-principles study

Optik ◽

10.1016/j.ijleo.2017.06.100 ◽

2017 ◽

Vol 144 ◽

pp. 334-339 ◽

Cited By ~ 6

Author(s):

M. Luo ◽

Y.E. Xu ◽

Y.X. Song

Keyword(s):

Electronic Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Study ◽

Van Der Waals Heterostructure

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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Atomic structure, stability and electronic properties of S(Al2CuMg)/Al interface: A first-principles study

Intermetallics ◽

10.1016/j.intermet.2017.10.014 ◽

2018 ◽

Vol 93 ◽

pp. 329-337 ◽

Cited By ~ 11

Author(s):

Xingzhi Pang ◽

Wenchao Yang ◽

Jianbing Yang ◽

Mingjun Pang ◽

Yongzhong Zhan

Keyword(s):

Electronic Properties ◽

Atomic Structure ◽

First Principles ◽

Structure Stability ◽

First Principles Study

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Tuning the electronic structure of GeC/WS2 van der Waals heterostructure by electric field and strain: A first principles study

Computational Materials Science ◽

10.1016/j.commatsci.2019.01.010 ◽

2019 ◽

Vol 160 ◽

pp. 301-308 ◽

Cited By ~ 11

Author(s):

Jianying Shi ◽

Yang Ou ◽

Max A. Migliorato ◽

Hongyu Wang ◽

Hui Li ◽

...

Keyword(s):

Electronic Structure ◽

Electric Field ◽

First Principles ◽

Van Der Waals ◽

First Principles Study ◽

Van Der Waals Heterostructure

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van der Waals trilayers and superlattices: modification of electronic structures of MoS2 by intercalation

Nanoscale ◽

10.1039/c4nr00783b ◽

2014 ◽

Vol 6 (9) ◽

pp. 4566-4571 ◽

Cited By ~ 79

Author(s):

Ning Lu ◽

Hongyan Guo ◽

Lu Wang ◽

Xiaojun Wu ◽

Xiao Cheng Zeng

Keyword(s):

Electronic Properties ◽

First Principles ◽

Electronic Structures ◽

Van Der Waals ◽

Two Dimensional ◽

First Principles Study

We perform a comprehensive first-principles study of the electronic properties of van der Waals (vdW) trilayers via intercalating a two-dimensional (2D) monolayer (ML = BN, MoSe2, WS2, or WSe2) between a MoS2 bilayer to form various MoS2/ML/MoS2 sandwich trilayers.

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First principles calculations of the geometric structures and electronic properties of van der Waals heterostructure based on graphene, hexagonal boron nitride and molybdenum diselenide

Diamond and Related Materials ◽

10.1016/j.diamond.2018.07.010 ◽

2018 ◽

Vol 88 ◽

pp. 151-157 ◽

Cited By ~ 5

Author(s):

Khang D. Pham ◽

Chuong V. Nguyen

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

First Principles ◽

Hexagonal Boron Nitride ◽

Van Der Waals ◽

First Principles Calculations ◽

Geometric Structures ◽

Van Der Waals Heterostructure ◽

Molybdenum Diselenide

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Dioxin sensing properties of graphene and hexagonal boron nitride based van der Waals solids: a first-principles study

RSC Advances ◽

10.1039/c6ra18976h ◽

2016 ◽

Vol 6 (108) ◽

pp. 107114-107126 ◽

Cited By ~ 5

Author(s):

M. Kamaraj ◽

J. Vijaya Sundar ◽

V. Subramanian

Keyword(s):

Boron Nitride ◽

Dft Calculations ◽

Electronic Properties ◽

First Principles ◽

Hexagonal Boron Nitride ◽

Van Der Waals ◽

Two Dimensional ◽

Sensing Properties ◽

First Principles Study

The changes in the electronic properties of single and bilayers of graphene and hexagonal boron nitride two dimensional sheets have been investigated upon interaction with 2,3,7,8-tetrachlorodibenzo-p-dioxin by employing the DFT calculations.

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