Related papers: Two-dimensional MoS$_2$ electromechanical actuator…
We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental…
In this letter we report on the synthesis of monolayers of MoS$_2$ via chemical vapor deposition directly on thin films of Al$_2$O$_3$ grown by spatial atomic layer deposition. The synthesized monolayers are characterized by atomic force…
Contemporary science is witnessing a rapid expansion of the two-dimensional (2D) materials family, each member possessing intriguing emergent properties of fundamental and practical importance. Using the particle-swarm optimization method…
We used density functional theory to investigate the lateral heteromonolayers of WTe2 and MoTe2. We confirmed that topologically nontrivial and trivial phases are energetically favored for the WTe2 and MoTe2 monolayers, taken out of bulk…
In this paper, we studied the structural and electronic properties of MoSe$_2$ monolayer in its pure and doped forms, using the density functional theory (DFT), and the calculations were performed using Quantum Espresso (QE) software…
We fabricate freely suspended nanosheets of MoS2 which are characterized by quantitative optical microscopy and high resolution friction force microscopy. We study the elastic deformation of freely suspended nanosheets of MoS2 using an…
TMDs are a new family of 2D materials with features that make them appealing for potential applications in nanomaterials science and engineering. Although, the edges of the 2D TMDs show excellent electrocatalytic performance, their basal…
We study the stability, electrical properties, and magnetic properties of MSi2N4 (M = Cr, Mn, Fe, and Co) monolayers based on the density functional theory.
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…
Two-dimensional (2D) transition metal di-chalcogenide layers with high electrical conductivity and spin-orbit coupling (SOC) can find huge potential in spintronic devices. With limited success of 2D spin Hall material development, we…
Strain engineering can modulate the material properties of two-dimensional (2D) semiconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron…
Strain engineering is an important method for tuning the properties of semiconductors and has been used to improve the mobility of silicon transistors for several decades. Recently, theoretical studies have predicted that strain can also…
Interface-induced superconductivity has recently been achieved by stacking a magnetic topological insulator layer on an antiferromagnetic FeTe layer. However, the mechanism driving this emergent superconductivity remains unclear. Here, we…
If a material with an odd number of electrons per unit cell turns out to be insulating, Mott localisation may be invoked as an explanation. This is widely accepted for the layered compound 1T-TaS2, which has a low-temperature insulating…
Sliding of two-dimensional materials is critical for their application as solid lubricants for space, and also relevant for strain engineering and device fabrication. Dopants such as Ni surprisingly improve lubrication in MoS$_2$, despite…
Regulation of electronic structure and mobility cut-on rate in two-dimensional transition metal dichalcogenides (TMDs) has attracted much attention because of its potential in electronic device design. The anisotropic Raman scattering and…
Density functional theory (DFT) based ab-initio calculations of electronic, phononic, and superconducting properties of 1T MoS2 are reported. The phonon dispersions are computed within density-functional-perturbation-theory (DFPT). We have…
Two-dimensional (2D) materials are a new class of materials with interesting physical properties and ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of other layered…
Recent angle-resolved photoemission spectroscopy (ARPES) for a newly discovered doped one-dimensional (1D) Mott insulator Ba$_{2-x}$Sr$_x$CuO$_{3+\delta}$ proposed the presence of attractive charge interactions between neighboring sites if…
Deposition of MoS2 on (111)-Au alters the electronic properties of MoS2. In this study, we investigate the free-standing MoS2 monolayer and the MoS2~\(111)-Au heterostructure, with and without strain, as well as defects of interest in…