Unveiling the layer-dependent electronic properties in transition-metal dichalcogenides heterostructures assisted by machine learning

Nanoscale ◽  
2022 ◽  
Author(s):  
Tao Wang ◽  
Xiaoxing Tan ◽  
Yadong Wei ◽  
Hao Jin
Keyword(s):  
Machine Learning ◽  
Transition Metal ◽  
Electronic Properties ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Layer Number ◽  
Metal Dichalcogenides ◽  
Computational Resources

The electronic properties of layered two-dimensional (2D) transition-metal dichalcogenides (TMDs) van der Waals (vdW) heterostructures are strongly dependent on their layer number (N). However, it requires extremely large computational resources...

scholarly journals Prediction of the structural and electronic properties of MoxTi1−xS2 monolayers via first principle simulations

2020 ◽  
Vol 10 ◽  
pp. 184798042095509
Author(s):  
Ankit Kumar Verma ◽  
Federico Raffone ◽  
Giancarlo Cicero
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Two Dimensional ◽  
Electron Hole ◽  
Effective Electron ◽  
Wide Range ◽  
Structural And Electronic Properties ◽  
Metal Dichalcogenides

Two-dimensional transition metal dichalcogenides have gained great attention because of their peculiar physical properties that make them interesting for a wide range of applications. Lately, alloying between different transition metal dichalcogenides has been proposed as an approach to control two-dimensional phase stability and to obtain compounds with tailored characteristics. In this theoretical study, we predict the phase diagram and the electronic properties of Mo xTi1− xS2 at varying stoichiometry and show how the material is metallic, when titanium is the predominant species, while it behaves as a p-doped semiconductor, when approaching pure MoS2 composition. Correspondingly, the thermodynamically most stable phase switches from the tetragonal to the hexagonal one. Further, we present an example which shows how the proposed alloys can be used to obtain new vertical two-dimensional heterostructures achieving effective electron/hole separation.

Theoretical characterization of the electronic properties of heterogeneous vertical stacks of 2D metal dichalcogenides containing one doped layer

2020 ◽  
Vol 22 (25) ◽  
pp. 14088-14098
Author(s):  
Amine Slassi ◽  
David Cornil ◽  
Jérôme Cornil
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Optoelectronic Devices ◽  
Metal Dichalcogenides ◽  
Theoretical Characterization ◽  
New Generation

The rise of van der Waals hetero-structures based on transition metal dichalcogenides (TMDs) opens the door to a new generation of optoelectronic devices.

scholarly journals A review of molybdenum disulfide (MoS2) based photodetectors: from ultra-broadband, self-powered to flexible devices

RSC Advances ◽  
2020 ◽  
Vol 10 (51) ◽  
pp. 30529-30602 ◽  
Author(s):  
Hari Singh Nalwa
Keyword(s):  
Transition Metal ◽  
Molybdenum Disulfide ◽  
Strong Interaction ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
Flexible Devices ◽  
Metal Dichalcogenides ◽  
Self Powered

Two-dimensional transition metal dichalcogenides have attracted much attention in the field of optoelectronics due to their tunable bandgaps, strong interaction with light and tremendous capability for developing diverse van der Waals heterostructures with other nanomaterials.

scholarly journals Determining layer number of two-dimensional flakes of transition-metal dichalcogenides by the Raman intensity from substrates

2016 ◽  
Vol 27 (14) ◽  
pp. 145704 ◽  
Author(s):  
Xiao-Li Li ◽  
Xiao-Fen Qiao ◽  
Wen-Peng Han ◽  
Xin Zhang ◽  
Qing-Hai Tan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Raman Intensity ◽  
Layer Number ◽  
Metal Dichalcogenides

Atomistic insight into the oxidation of monolayer transition metal dichalcogenides: from structures to electronic properties

RSC Advances ◽  
2015 ◽  
Vol 5 (23) ◽  
pp. 17572-17581 ◽  
Author(s):  
Hongsheng Liu ◽  
Nannan Han ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Optoelectronic Devices ◽  
Two Dimensional ◽  
Potential Applications ◽  
Metal Dichalcogenides ◽  
Insight Into

Monolayer transition metal dichalcogenides (TMDs) stand out in two-dimensional (2D) materials due to their potential applications in future microelectronic and optoelectronic devices.

Gate-tunable diode-like current rectification and ambipolar transport in multilayer van der Waals ReSe2/WS2 p–n heterojunctions

2016 ◽  
Vol 18 (40) ◽  
pp. 27750-27753 ◽  
Author(s):  
Cong Wang ◽  
Shengxue Yang ◽  
Wenqi Xiong ◽  
Congxin Xia ◽  
Hui Cai ◽  
...  
Keyword(s):  
Transition Metal ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Metal Dichalcogenides ◽  
Current Rectification ◽  
Ambipolar Transport

Vertically stacked van der Waals (vdW) heterojunctions of two-dimensional (2D) transition metal dichalcogenides (TMDs) are widely studied due to their fascinating properties.

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