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We study the elastic deformation of few layers (5 to 25) thick freely suspended MoS2 nanosheets by means of a nanoscopic version of a bending test experiment, carried out with the tip of an atomic force microscope. The Young's modulus of…

In the present work, some MoS2 and WS2 nanosheets were prepared and characterized. Depending on the preparation procedures, trigonal prismatic (2H) or octahedral (1T) coordination of the metal atoms were obtained, exhibiting metallic (1T)…

Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…

Mesoscale and Nanoscale Physics · Physics 2025-09-30 Anagha Gopinath , Faiha Mujeeb , Subhabrata Dhar , Jyoti Mohanty

We explore the electronic structure, orbital character and topological aspect of a monolayer MoS$_2$ nanoribbon using tight-binding (TB) and low-energy (${\bm k}\cdot{\bm p} $) models. We obtain a mid-gap edge mode in the zigzag ribbon of…

Mesoscale and Nanoscale Physics · Physics 2016-11-03 Habib Rostami , Reza Asgari , Francisco Guinea

Using accurate first-principles calculations based on many-body perturbation theory we predict that two-dimensional MoS$_2$ hosts edge excitons with universal character, intrinsic to the existence of edges and lying well below the onset of…

Mesoscale and Nanoscale Physics · Physics 2020-05-06 Pino D'Amico , Marco Gibertini , Deborah Prezzi , Daniele Varsano , Andrea Ferretti , Nicola Marzari , Elisa Molinari

The catalytic sites of MoS$_{2}$ monolayers towards hydrogen evolution are well known to be vacancies and edge-like defects. However, it is still very challenging to control the position, size, and defective areas on the basal plane of…

Molybdenum disulfide (MoS2) has drawn great interest for tunable photonics and optoelectronics advancement. Its solution processing, though scalable, results in randomly networked ensembles of discrete nanosheets with compromised properties…

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…

Mesoscale and Nanoscale Physics · Physics 2017-02-02 Emilia Ridolfi , Leandro R. F. Lima , Eduardo R. Mucciolo , Caio H. Lewenkopf

Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…

Materials Science · Physics 2024-02-16 Stefan Velja , Jannis Krumland , Caterina Cocchi

Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…

Molybdenum disulfide (MoS$_2$) is a high-potential material for nanoelectronic applications, especially when thinned to a few layers. Liquid phase exfoliation enables large-scale fabrication of thin films comprising single- and few-layer…

Materials Science · Physics 2024-11-19 Alireza Ghasemifard , Agnieszka Kuc , Thomas Heine

Here we analyze multiple symmetry-inequivalent atomic configurations across the entire composition range of the isovalent and isostructural Mo$_x$W$_{1-x}$S$_2$ alloy using density-functional theory and Monte Carlo simulations. Our results…

Materials Science · Physics 2026-04-17 M. Szyszko , M. Birowska

Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…

Materials Science · Physics 2017-04-17 B Mortazavi , A Ostadhossein , T Rabczuk , ACT van Duin

The microscopic process of oxidative etching of two-dimensional molybdenum disulfide (2D MoS2) at an atomic scale is investigated using a correlative TEM-etching study. MoS2 flakes on graphene TEM grids are precisely tracked and…

Materials Science · Physics 2018-11-13 Danhui Lv , Hulian Wang , Dancheng Zhu , Jie Lin , Guoli Yin , Fang Lin , Ze Zhang , Chuanhong Jin

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…

Mesoscale and Nanoscale Physics · Physics 2016-10-03 Morteza Kayyalha , Jesse Maassen , Mark Lundstrom , Li Shi , Yong P. Chen

The electronic structure of an atomic-layer-deposited MoS2 monolayer on SiO2 was investigated using X-ray absorption spectroscopy (XAS) and synchrotron X-ray photoelectron spectroscopy (XPS). The angle-dependent evolution of the XAS spectra…

Two-dimensional transition metal dichalcogenides represent an emerging class of materials exhibiting various intriguing properties, and integration of such materials for potential device applications will necessarily encounter creation of…

Materials Science · Physics 2016-02-25 Ping Cui , Jin-Ho Choi , Wei Chen , Jiang Zeng , Chendong Zhang , Chih-Kang Shih , Zhenyu Li , Zhenyu Zhang

Two-dimensional monolayer transition metal dichalcogenides (TMDs) have unique optical and electronic properties for applications pertaining to field effect transistors, light emitting diodes, photodetectors, and solar cells. Vertical…

Defects usually play an important role in tuning and modifying various properties of semiconducting or insulating materials. Therefore we study the impact of point and line defects on the electronic structure and optical properties of MoS2…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 Jens Kunstmann , Tsegabirhan B. Wendumu , Gotthard Seifert

Progress in developing advanced photonic devices relies on introducing new materials, discovered physical principles, and optimal designs when constructing their components. Optical systems operating on the principles of excitation of…