相关论文: Defects, band bending and ionization rings in MoS2

Point defects in the binary group-IV monochalcogenide monolayers of SnS, SnSe, GeS, GeSe are investigated using density-functional-theory calculations. Several stable configurations are found for oxygen defects, however we give evidence…

Metal thiophosphates (MTPs) are a large family of 2D materials that exhibit large structural and chemical diversity. They also show promise for applications in energy harvesting and photodetection. Strain and defect engineering have…

Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…

Transition metal dichalcogenides exhibit rich phase diagrams dominated by the interplay of superconductivity and charge density waves, which often result in anomalies in the electric transport properties. Here, we employ the ionic gating…

We report a detailed study of tunneling spectra measured on 2H-Ta$_x$Nb$_{1-x}$Se$_2$ ($x=0\sim 0.1$) single crystals using a low-temperature scanning tunneling microscope. The prominent gap-like feature unintelligible for a long time was…

Molybdenum disulfide (MoS$_2$) is a promising candidate for 2D nanoelectronic devices, that shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS$_2$ upon both compressive and tensile strains…

We have performed a comprehensive first-principles study of the electronic and magnetic properties of two-dimensional (2D) transition-metal dichalcogenide (TMD) heterobilayers MX2/MoS2 (M = Mo, Cr, W, Fe, V; X = S, Se). For M = Mo, Cr, W;…

Two dimensional semiconductor such as single-layer transition metal dichalcogenides (SL-TMD) have attracted most attentions as an atomically thin layer semiconductor materials. Typically, lattice point defects (sulfur vacancy) created by…

Due to high surface to volume ratio and tunable band gap, 2 Dimensional (2D) layered materials such as MoS2, is good candidate for gas sensing applications. This research mainly focuses on variation of Density of States (DOS) of MoS2…

Scattering of charge carriers and flicker noise in electrical transport are the central performance limiting factors in electronic devices, but their microscopic origin in molybdenum disulphide~(MoS$_2$)-based field effect transistors…

Two-dimensional molybdenum disulfide (MoS2) is an excellent channel material for ultra-thin field effect transistors. However, high contact resistance across the metal-MoS2 interface continues to limit its widespread realization. Here,…

Transition metal dichalcogenides are known to possess large optical nonlinearities and driving these materials at high intensities is desirable for many applications. Understanding their optical responses under repetitive intense excitation…

We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…

Atomically thin transition metal dichalcogenides have emerged as promising candidates for sensitive photodetection. Here, we report a photoconductivity study of biased mono- and bilayer molybdenum disulfide field-effect transistors. We…

Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…

The emergence of transition metal dichalcogenides (TMDs) as 2D electronic materials has stimulated proposals of novel electronic and photonic devices based on TMD heterostructures. Here we report the determination of band offsets in TMD…

We investigate the dynamical dielectric function of a monolayer of molybdenum disulfide within the random phase approximation. While in graphene damping of plasmons is caused by interband transitions, due to the large direct band gap in…

By using scanning tunneling microscopy (STM) / spectroscopy (STS), we systematically characterize the electronic structure of lightly doped 1T-TiSe2, and demonstrate the existence of the electronic inhomogeneity and the pseudogap state. It…

Identifying the point defects in 2D materials is important for many applications. Recent studies have proposed that W vacancies are the predominant point defect in 2D WSe2, in contrast to theoretical studies, which predict that chalcogen…

A major theoretical challenge of studying twisted transition metal dichalcogenide (TMD) bilayers is that the unit cell of such structures is very large and therefore difficult to address using first-principles methods. However, twisted TMD…