Related papers: Localized defect states in MoS$_2$ monolayers: ele…
Transition-metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), are expected to be promising for next generation device applications. The existence of sulfur vacancies formed in MoS2, however, will potentially make devices…
The effect of defects on the behavior of electrical conductivity in a monolayer produced by the random sequential adsorption of linear $k$-mers (particles occupying $k$ adjacent sites) onto a square lattice is studied by means of a Monte…
Point defects may introduce defect levels into the fundamental band gap of the host semiconductors that alter the electrical properties of the material. As a consequence, the in-gap defect levels and states automatically lower the threshold…
Vertical and lateral heterostructures of van der Waals materials provide tremendous flexibility for band structure engineering. Since electronic bands are sensitively affected by defects, strain, and interlayer coupling, the edge and…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
The photonic density of states (PDS) of eigen polarizations (EPs) in cholesteric liquid crystal (CLC) cells with a defect layer inside are calculated. The dependences for the PDS and light intensity in the defect layer on the parameters…
We demonstrate the continuous and reversible tuning of the optical band gap of suspended monolayer MoS2 membranes by as much as 500 meV by applying very large biaxial strains. By using chemical vapor deposition (CVD) to grow crystals that…
Natural oxidation is a common degradation mechanism of both mechanical and electronic properties for most of the new two-dimensional materials. From another perspective, controlled oxidation is an option to tune material properties,…
The electronic structure of monolayer MoS$_2$ nanoribbons and quantum dots have been investigated by means of an effective $\mathbf{k}\cdot \mathbf{p}$ two-band model. Both systems with borders exhibit states spatially localized on the…
We studied the influence of defect states on the laser excitation process in silicon using time-dependent density functional theory. We assumed two types of point defects: interstitial oxygen and silicon vacancies. We found that the…
The 2D semiconducting transition metal dichalcogenides (e.g., WS2) host strong coupling between various degrees of freedom leading to potential applications in next-generation device applications including optoelectronics. Such applications…
A deep understanding of defects is essential for the optimisation of materials for solar energy conversion. This is particularly true for metal oxide photo(electro)catalysts, which typically feature high concentrations of charged point…
Understanding how atomic defects shape the nanoscale optical properties of two-dimensional (2D) semiconductors is essential for advancing quantum technologies and optoelectronics. Using scanning tunneling spectroscopy (STS) and luminescence…
The structural, electronic, and dielectric (optical) properties of graphene-like 2D MgO monolayer have been explored through first-principles calculations under bi-axial tensile and compressive mechanical strain within a range of -10% to…
Two-dimensional (2D) layered materials-based field-effect transistors (FETs) are promising for ultimate scaled electron device applications because of the improved electrostatics to atomically thin body thickness. However, compared with the…
Monolayer molybdenum disulfide ($\mathrm{MoS_2}$) under strain has many interesting properties and possible applications in technology. A recent experimental study examined the effect of strain on the bandgap of monolayer $\mathrm{MoS_2}$…
Energy band realignment at the interfaces between materials in heterostructures can give rise to unique electronic characteristics and non-trivial low-dimensional charge states. In a homojunction of monolayer and multilayer MoS$_2$, the…
Low-dimensional materials have emerged as promising hosts for quantum emitters, whose emission typically arises from either strain-induced band bending or defect-induced two-level systems. Among these materials, transition metal…
The vertical stacking of van der Waals (vdW) materials introduces a new degree of freedom to the research of two-dimensional (2D) systems. The interlayer coupling strongly influences the band structure of the heterostructures, resulting in…
Monolayer molybdenum disulphide (MoS$_2$) is a promising two-dimensional (2D) material for nanoelectronic and optoelectronic applications. The large-area growth of MoS$_2$ has been demonstrated using chemical vapor deposition (CVD) in a…