Related papers: Localized defect states in MoS$_2$ monolayers: ele…
Ab-initio density functional theory calculations are performed to study the electronic properties of a MoS2 monolayer deposited over a SiO2 substrate in the presence of interface impurities and defects. When MoS2 is placed on a defect-free…
Using an ab initio density functional theory (DFT) based electronic structure method, we study the effects of adatoms on the electronic properties of monolayer transition metal dichalcogenide (TMD) Molybdenum-disulfide (MoS2). We consider…
In this paper, the localized surface modes in a defective multilayer structure has been investigated. It is shown that the defective multilayer structures can support two different kind of localized modes depending on the position and the…
Control of impurity concentrations in semiconducting materials is essential to device technology. Because of their intrinsic confinement, the properties of two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are…
We investigate the effects of point and line defects in monolayer graphene within the framework of the Hubbard model, using a self-consistent mean field theory. These defects are found to induce characteristic patterns into the electronic…
Precise and scalable defect engineering of 2D nanomaterials is acutely sought-after in contemporary materials science. Here we present defect engineering in monolayer graphene and molybdenum disulfide (MoS$_2$) by irradiation with noble gas…
MoS2 is one of the most investigated and promising transition-metal dichalcogenides. Its popularity stems from the interesting properties of the monolayer phase, which can serve as the fundamental block for numerous applications. In this…
This study presents a comprehensive first-principles investigation of the structural, electronic and optical properties of monolayer \ch{Mo_{1-x}W_xS2} alloys, systematically exploring the full compositional range ($x=0$ to $1$) using…
The interactions between different layers in van der Waals heterostructures have a significant impact on the electronic and optical characteristics. By utilizing the intrinsic dipole moment of Janus transition metal dichalcogenides (TMDs),…
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…
Semiconducting monolayer of 2D material are able to concatenate multiple interesting properties into a single component. Here, by combining opto-mechanical and electronic measurements, we demonstrate the presence of a partial 2H-1T phase…
The optical properties of transition metal dichalcogenides have previously been modified at the nanoscale by using mechanical and electrical nanostructuring. However, a clear experimental picture relating the local electronic structure with…
The role of defects in two-dimensional semiconductors and how they affect the intrinsic properties of these materials have been a wide researched topic over the past decades. Optical characterization such as photoluminescence and Raman…
Defect engineering using self-doping or creating vacancies in polycrystalline oxide based materials has profound influence on optical absorption, UV photo detection, and electrical switching. However, defects induced semiconducting oxide…
Two-dimensional (2D) Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structure, broken-mirror symmetry, and consequent colossal…
We investigate electrical gating of photoluminescence and optical absorption in monolayer molybdenum disulfide (MoS$_2$) configured in field effect transistor geometry. We observe an hundredfold increase in photoluminescence intensity and…
Transition metal dichalcogenides, a family of two-dimensional compounds, are of interest for a range of technological applications. MoS2, the most researched member of this family, is hexagonal, from which monolayers may be isolated. Under…
Point defects, often formed during the growth of Janus MoSSe, act as built-in scatterers and affect carrier transport in electronic devices based on Janus MoSSe. In this study, we employ first-principles calculations to investigate the…
Nanomaterials are prone to influence by chemical adsorption because of their large surface to volume ratios. This enables sensitive detection of adsorbed chemical species which, in turn, can tune the property of the host material. Recent…
Two-dimensional (2D) molybdenum disulfide (MoS2) holds great promise in electronic and optoelectronic applications owing to its unique structure and intriguing properties. The intrinsic defects such as sulfur vacancies (SVs) of MoS2…