Band structure engineering of SnS2/polyphenylene van der Waals heterostructure via interlayer distance and electric field

2019 ◽  
Vol 21 (3) ◽  
pp. 1521-1527 ◽  
Author(s):  
Qian Zhang ◽  
Xueping Li ◽  
Tianxing Wang ◽  
Zhenduo Geng ◽  
Congxin Xia
Keyword(s):  
Band Structure ◽  
Electric Field ◽  
2D Materials ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
Two Dimensional ◽  
Effective Strategy ◽  
Van Der Waals Heterostructure ◽  
Structure Engineering

Constructing a van der Waals heterostructure (vdWH) by stacking different two-dimensional (2D) materials has been considered to be an effective strategy to obtain the desired properties.

Tailoring the structural and electronic properties of an SnSe2/MoS2 van der Waals heterostructure with an electric field and the insertion of a graphene sheet

2019 ◽  
Vol 21 (39) ◽  
pp. 22140-22148 ◽  
Author(s):  
Tuan V. Vu ◽  
Nguyen V. Hieu ◽  
Le T. P. Thao ◽  
Nguyen N. Hieu ◽  
Huynh V. Phuc ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Graphene Sheet ◽  
2D Materials ◽  
Van Der Waals ◽  
Optoelectronic Devices ◽  
Two Dimensional ◽  
Van Der Waals Heterostructure ◽  
Two Dimensional Materials ◽  
Structural And Electronic Properties

van der Waals heterostructures by stacking different two-dimensional materials are being considered as potential materials for nanoelectronic and optoelectronic devices because they can show the most potential advantages of individual 2D materials.

Band structure engineering in a MoS2/PbI2 van der Waals heterostructure via an external electric field

2016 ◽  
Vol 18 (41) ◽  
pp. 28466-28473 ◽  
Author(s):  
Yaqiang Ma ◽  
Xu Zhao ◽  
Tianxing Wang ◽  
Wei Li ◽  
Xiaolong Wang ◽  
...  
Keyword(s):  
Band Structure ◽  
Electric Field ◽  
External Electric Field ◽  
Van Der Waals ◽  
Partial Charge ◽  
Charge Densities ◽  
Van Der Waals Heterostructure ◽  
Band Alignments ◽  
Vdw Heterostructure ◽  
Structure Engineering

The band alignments and partial charge densities from the CBM and the VBM of the MoS2/PbI2 vdW heterostructure with different Efields.

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.

Structural and electronic properties of a van der Waals heterostructure based on silicene and gallium selenide: effect of strain and electric field

2018 ◽  
Vol 20 (44) ◽  
pp. 27856-27864 ◽  
Author(s):  
P. T. T. Le ◽  
Nguyen N. Hieu ◽  
Le M. Bui ◽  
Huynh V. Phuc ◽  
Bui D. Hoi ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
Van Der Waals ◽  
Layer By Layer ◽  
Gallium Selenide ◽  
Two Dimensional ◽  
Parent Materials ◽  
Van Der Waals Heterostructure ◽  
Two Dimensional Materials ◽  
Structural And Electronic Properties

Combining van der Waals heterostructures by stacking different two-dimensional materials on top of each other layer-by-layer can enhance their desired properties and greatly extend the applications of the parent materials.

Tunable electronic properties and band alignments of InS-arsenene heterostructure via external strain and electric field

2021 ◽  
Author(s):  
Hui Yao ◽  
Chao Zhang ◽  
Qiang Wang ◽  
Jianwei Li ◽  
Yunjin Yu ◽  
...  
Keyword(s):  
Electric Field ◽  
Electronic Properties ◽  
2D Materials ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
Band Alignments ◽  
Novel Devices ◽  
External Strain

The Van der Waals heterostructures (vdWHs) based on two-dimensional (2D) materials have been extensively recognized promising candidates for fabricating multi-functional novel devices. In this work, we investigated structural and electronic...

Electric field modulation of the band structure in MoS2/WS2 van der waals heterostructure

2017 ◽  
Vol 250 ◽  
pp. 9-13 ◽  
Author(s):  
Wei Li ◽  
Tianxing Wang ◽  
Xianqi Dai ◽  
Xiaolong Wang ◽  
Caiyun Zhai ◽  
...  
Keyword(s):  
Band Structure ◽  
Electric Field ◽  
Van Der Waals ◽  
Van Der Waals Heterostructure ◽  
Field Modulation

Efficient Prediction of Structural and Electronic Properties of Hybrid 2D Materials Using DFT and Machine Learning

2018 ◽  
Author(s):  
Sherif Tawfik ◽  
Olexandr Isayev ◽  
Catherine Stampfl ◽  
Joseph Shapter ◽  
David Winkler ◽  
...  
Keyword(s):  
Machine Learning ◽  
Band Gap ◽  
Density Functional ◽  
2D Materials ◽  
Van Der Waals ◽  
Building Blocks ◽  
Machine Learning Techniques ◽  
Interlayer Distance ◽  
Computational Screening ◽  
Wide Range

Materials constructed from different van der Waals two-dimensional (2D) heterostructures offer a wide range of benefits, but these systems have been little studied because of their experimental and computational complextiy, and because of the very large number of possible combinations of 2D building blocks. The simulation of the interface between two different 2D materials is computationally challenging due to the lattice mismatch problem, which sometimes necessitates the creation of very large simulation cells for performing density-functional theory (DFT) calculations. Here we use a combination of DFT, linear regression and machine learning techniques in order to rapidly determine the interlayer distance between two different 2D heterostructures that are stacked in a bilayer heterostructure, as well as the band gap of the bilayer. Our work provides an excellent proof of concept by quickly and accurately predicting a structural property (the interlayer distance) and an electronic property (the band gap) for a large number of hybrid 2D materials. This work paves the way for rapid computational screening of the vast parameter space of van der Waals heterostructures to identify new hybrid materials with useful and interesting properties.

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