Related papers: An atomistic model for the charge distribution in …
In this paper the distribution of charged particles is constructed under the approximation of ambipolar diffusion. The results of mathematical modelling in two-dimensional case taking into account the velocities of the system are presented.
Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…
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…
Molybdenum disulfide (MoS$_2$) is one of the most broadly utilized solid lubricants with a wide range of applications, including but not limited to those in the aerospace/space industry. Here we present a focused review of solid lubrication…
The importance of electrostatic interactions in soft matter and biological systems can often be traced to non-uniform charge effects, which are commonly described using a multipole expansion of the corresponding charge distribution. The…
We present a method for predicting the linear response deformation of finite and semi-infinite 2D solid structures with circular holes and inclusions by employing the analogies with image charges and induction in electrostatics. Charges in…
We describe a photogating effect in mono- and few-layer MoS2, which allows the control of the charge carrier density by almost two orders of magnitude without electrical contacts. Our Raman studies are consistent with physisorbed…
The realization of ordered strain fields in two-dimensional crystals is an intriguing perspective in many respects, including the instauration of novel transport regimes and the achievement of enhanced device performances. In this work, we…
We demonstrate the tunability of the photoluminescence (PL) properties of monolayer (1L)-MoS2 via chemical doping. The PL intensity of 1L-MoS2 was drastically enhanced by the adsorption of p-type dopants with high electron affinity, but…
We systematically study thermoelectric properties of layered MoS$_2$ by doping, based on Boltzmann transport theory and first-principles calculations. We obtain optimal doping region (around 10$^{19}$ cm$^{-3}$) by looking closely to the…
Studying the reason, why single-layer molybdenum disulfide (MoS$_2$) appears to fall short of its promising potential in flexible nanoelectronics, we found that the nature of contacts plays a more important role than the semiconductor…
We study the transport properties of deeply scaled monolayer MoS2 n-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic quantum transport simulations with an atomistic tight-binding Hamiltonian…
An atomistic study of the thermal properties of lithiated molybdenum disulfide (MoS2) is presented and an explanation for the experimentally determined anisotropic behavior of the in- and through-plane thermal conductivity is proposed.…
Precise tunability of electronic properties of 2D nanomaterials is a key goal of current research in this field of materials science. Chemical modification of layered transition metal dichalcogenides leads to the creation of…
Piezoelectricity offers precise and robust conversion between electricity and mechanical force. Here we report the first experimental evidence of piezoelectricity in a single layer of molybdenum disulfide (MoS2) crystal as a result of…
The new generation of two-dimensional (2D) materials has shown a broad range of applications for optical and electronic devices. Understanding the properties of these materials when integrated with the more traditional three-dimensional…
We address the ballistic transmission of charge carriers across ordered line defects in monolayer transition metal dichalcogenides. Our study reveals the presence of a transport gap driven by spin-orbit interactions, spin and valley…
We reveal numerically and experimentally that dielectric resonance can enhance the absorbance and emission of monolayer MoS$_2$. By quantifying the absorbance of the Si disk resonators and the monolayer MoS$_2$ separately, a model taking…
The effect of fixed discrete colloidal charges in the primitive model is investigated for spherical macroions. Instead of considering a central bare charge, as it is traditionally done, we distribute \textit{discrete} charges randomly on…
In this study, we compare the performance of two phases of MoS$_2$ monolayers: 1T' and 2H, about their ability to adsorb lithium and sodium ions. Employing the density functional theory and molecular dynamics, we include the ion…