Spin and valley properties in tunable 2D materials and artificial van der Waals solids (Conference Presentation)

2020 ◽  
Author(s):  
Ursula Wurstbauer
Keyword(s):  
2D Materials ◽  
Van Der Waals

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.

Two-dimensional topological insulators exfoliated from Na3Bi-like Dirac semimetals

2021 ◽  
Author(s):  
Xiaoqiu Guo ◽  
Ruixin Yu ◽  
Jingwen Jiang ◽  
Zhuang Ma ◽  
Xiuwen Zhang
Keyword(s):  
Physical Properties ◽  
Epitaxial Growth ◽  
Topological Insulators ◽  
2D Materials ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Dirac Semimetals

Topological insulation is widely predicted in two-dimensional (2D) materials realized by epitaxial growth or van der Waals (vdW) exfoliation. Such 2D topological insulators (TI’s) host many interesting physical properties such...

Moiré physics in twisted van der Waals heterostructures of 2D materials

2021 ◽  
Author(s):  
Sanjay K. Behura ◽  
Alexis Miranda ◽  
Sasmita Nayak ◽  
Kayleigh Johnson ◽  
Priyanka Das ◽  
...  
Keyword(s):  
2D Materials ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures

Graphene Quantum Dots Assisted Exfoliation of Atomically-thin 2D Materials and As-formed 0D/2D van der Waals Heterojunction for HER

Carbon ◽  
2021 ◽  
Author(s):  
Jun Gong ◽  
Zheye Zhang ◽  
Zhiping Zeng ◽  
Wenjun Wang ◽  
Lingxuan Kong ◽  
...  
Keyword(s):  
Quantum Dots ◽  
2D Materials ◽  
Van Der Waals ◽  
Graphene Quantum Dots

scholarly journals The growth and assembly of organic molecules and inorganic 2D materials on graphene for van der Waals heterostructures

Carbon ◽  
2018 ◽  
Vol 131 ◽  
pp. 246-257 ◽  
Author(s):  
Akinola D. Oyedele ◽  
Christopher M. Rouleau ◽  
David B. Geohegan ◽  
Kai Xiao
Keyword(s):  
Organic Molecules ◽  
2D Materials ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures

scholarly journals Cross-plane transport in a single-molecule two-dimensional van der Waals heterojunction

2020 ◽  
Vol 6 (22) ◽  
pp. eaba6714 ◽  
Author(s):  
Shiqiang Zhao ◽  
Qingqing Wu ◽  
Jiuchan Pi ◽  
Junyang Liu ◽  
Jueting Zheng ◽  
...  
Keyword(s):  
Charge Transport ◽  
Single Molecule ◽  
Density Functional ◽  
Electronic Materials ◽  
2D Materials ◽  
Molecular Layer ◽  
Van Der Waals ◽  
Density Functional Theory Calculations ◽  
Two Dimensional ◽  
Guest Molecules

Two-dimensional van der Waals heterojunctions (2D-vdWHs) stacked from atomically thick 2D materials are predicted to be a diverse class of electronic materials with unique electronic properties. These properties can be further tuned by sandwiching monolayers of planar organic molecules between 2D materials to form molecular 2D-vdWHs (M-2D-vdWHs), in which electricity flows in a cross-plane way from one 2D layer to the other via a single molecular layer. Using a newly developed cross-plane break junction technique, combined with density functional theory calculations, we show that M-2D-vdWHs can be created and that cross-plane charge transport can be tuned by incorporating guest molecules. The M-2D-vdWHs exhibit distinct cross-plane charge transport signatures, which differ from those of molecules undergoing in-plane charge transport.

scholarly journals Emerging Artificial Two-Dimensional van der Waals Heterostructures for Optoelectronics

2020 ◽  
Author(s):  
Hongcheng Ruan ◽  
Yu Huang ◽  
Yuqian Chen ◽  
Fuwei Zhuge
Keyword(s):  
Material Properties ◽  
2D Materials ◽  
Van Der Waals ◽  
Optoelectronic Devices ◽  
Vertical Direction ◽  
Two Dimensional ◽  
Device Application ◽  
Optical Memories ◽  
Optoelectronic Applications ◽  
Transfer Method

Two-dimensional (2D) materials are attracting explosive attention for their intriguing potential in versatile applications, covering optoelectronics, electronics, sensors, etc. An attractive merit of 2D materials is their viable van der Waals (VdW) stacking in artificial sequence, thus forming different atomic arrangements in vertical direction and enabling unprecedented tailoring of material properties and device application. In this chapter, we summarize the latest progress in assembling VdW heterostructures for optoelectronic applications by beginning with the basic pick-transfer method for assembling 2D materials and then discussing the different combination of 2D materials of semiconductor, conductor, and insulator properties for various optoelectronic devices, e.g., photodiode, phototransistors, optical memories, etc.

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.

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