Related papers: Mechanical Properties of MoS2/Graphene Heterostruc…
In view of a formal topology, two common terms, namely, connectivity and adjacency, determine the quality of C-C bonds of sp2 nanocarbons. The feature is the most sensitive point of the inherent topology of the species so that such external…
In this work, we have presented a first principle simulation study on the electronic properties of MoS2/MX2/MoS2 (M=Mo or W; X=S or Se) trilayer heterostrcuture. We have investigated the effect of stacking configuration, bi-axial…
Thickness is one of the fundamental parameters that define the electronic, optical, and thermal properties of two-dimensional (2D) crystals. Phonons in molybdenum disulfide (MoS2) were recently found to exhibit unique thickness dependence…
The mechanical response of single and multiple graphene sheets under uniaxial compressive loads was studied with molecular dynamics simulations, using different semi-empirical force fields at different boundary conditions or constrains.…
Detail transport properties of graphene/MoS2/metal vertical heterostructure have been investigated. The van der Waals interface between the graphene and MoS2 exhibits Schottky barrier. The application of gate voltage to the graphene layer…
We present measurements on in-plane Young's modulus and the Gr\"{u}neisen parameter of multilayer graphene with varying number of layers, obtained through {\it in situ} bulge tests. Accurate determination of their elastic parameters poses a…
We report an approach to achieve low-resistance contacts to MoS2 transistors with the intrinsic performance of the MoS2 channel preserved. Through a dry transfer technique and a metal-catalyzed graphene treatment process,…
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…
Based on ab initio calculations and metadynamics simulations, we predict that 2H-MoS$_2$, a layered insulator, will metallize under pressures in excess of 20-30 GPa. In the same pressure range, simulations and enthalpy optimization predict…
We investigate -- through simulations and analytical calculations -- the consequences of uniaxial lateral compression applied to the upper layer of few-layer graphene. The simulations of compressed graphene show that strains larger than 2.8…
We show how the excitonic features of biaxial MoS2 flakes are very sensitive to biaxial strain. We find a lower bound for the gauge factors of the A exciton and B exciton of (-41 +- 2) meV/% and (-45 +- 2) meV/% respectively, which are…
With the advances in low dimensional transition metal dichalcolgenides (TMDCs) based metal oxide semiconductor field effect transistor (MOSFET), the interface between semiconductors and dielectrics has received considerable attention due to…
We report on transport properties of the controllable large area MoSO/Reduced graphene oxide(RGO) heterostructures electrodeposited on FTO substrates and its comparision with theoretical calculations on MoSo/Gr. I-V characteristics of the…
Modulating electronic structure of two-dimensional (2D) materials represents an exciting avenue for tailoring their optoelectronic properties. Here, we identify a strain-induced, cooperative effect of intraband and interband excitations…
2D crystals, such as graphene, exhibit the higher strength and stiffness of any other known man-made or natural material. So far, this assertion has been primarily based on modelling predictions and on bending experiments in combination…
Achieving structural superlubricity in graphitic samples of macro-scale size is particularly challenging due to difficulties in sliding large contact areas of commensurate stacking domains. Here, we show the presence of macro-scale…
The phonon band structure of monolayer MoS2 is characteristic for a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon…
We present a joint theoretical and experimental investigation of charge doping and electronic potential landscapes in hybrid structures composed of graphene and semiconducting single layer MoS2. From first-principles simulations we find…
Based on ab initio calculations, we examine the incorporation of Li atoms in the MoS2/graphene interface. We find that the intercalated Li atoms are energetically more stable than Li atoms adsorbed on the MoS2 surface. The intercalated…
The Lennard-Jones potential is widely used to describe the interlayer interactions within layered materials like graphene. However, it is also widely known that this potential strongly underestimates the frictional properties for layered…