Related papers: First-principles Study on Structural, Thermal, Mec…
Thermal instability (TI) plays a crucial role in the formation of multiphase structures and their dynamics in the Interstellar Medium (ISM) and is a leading theory for cold cloud creation in various astrophysical environments. In this paper…
Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D…
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features of a heterojunction is the proper band alignment between the two materials. Estimation of the correct relative band positions with…
In this study, we systematically investigated the mechanical responses of monolayer molybdenum ditelluride (MoTe2) using molecular dynamics (MD) simulations. The tensile behavior of trigonal prismatic phase (2H phase) MoTe2 under uniaxial…
The band structure of MoS$_2$ strongly depends on the number of layers, and a transition from indirect to direct-gap semiconductor has been observed recently for a single layer of MoS$_2$. Single-layer MoS$_2$ therefore becomes an efficient…
First-principles calculations within density functional theory (DFT) have been carried out to investigate the adsorption of various gas molecules including CO, CO2, NH3, NO and NO2 on MoS2 monolayer in order to fully exploit the gas sensing…
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…
Tip-enhanced Raman spectroscopy (TERS) is a powerful method for imaging vibrational motion and chemically characterizing surface-bound systems. Theoretical simulations of TERS images often consider systems in isolation, ignoring any…
Due to the excellent physical properties, two dimensional materials have attracted widespread attention from researchers. In this article, we discuss a transition metal dichalcogenide, ReSeS monolayer with 1T" phase, with extremely low…
Observations of ion-scale (k_y*rho_i <= 1) density turbulence of relative amplitude dn_e/n_e <= 0.2% are available on the Mega Amp Spherical Tokamak (MAST) using a 2D (8 radial x 4 poloidal channel) imaging Beam Emission Spectroscopy (BES)…
Self-assembled topological structures of post-processed two-dimensional materials exhibit novel physical properties distinct from those of their parent materials. Herein, the critical role of desulphurization on self-assembled topological…
There is renewed interest in the structure of the essential amino acid Phenylalanine in the solid state. Three new polymorphs were found in the years 2012 to 2014. Here, we investigate the structure, stability, and energetical ordering of…
Because of their unique and rich physical properties, transition metal dichalcogenides (TMDs) materials have attracted much interest. Many studies suggest that introducing the degree of freedom of anisotropy, which may be brought about by…
Scanning tunneling spectroscopy requires the application of a potential difference between the sample and a tip. In metal-vacuum-metal junctions, one can safely assume that the potential is constant along the metallic substrate. Here, we…
The Janus structure, by combining properties of different transition metal dichalcogenide (TMD) monolayers in a single polar material, has attracted increasing research interest because of their particular structure and potential…
Using density functional theory, the electronic structures of single walled molybdenum disulfide nanotubes (MoS$_2$ NTs) were investigated as a function of diameter. Our calculations show that the electronic structure near the band gap is…
We have studied high temperature thermal behavior of 1H, 1H, 2H, 2H-Perfluorooctyl-trichlorosilane (FOTS) and Octyltrichlorosilane (OTS) molecules self assembled on titanium dioxide (TiO2) nanoparticles using advanced microscopy and…
Ideal monolayers of common semiconducting transition metal dichalcogenides (TMDCs) such as MoS$_2$, WS$_2$, MoSe$_2$, and WSe$_2$ possess many similar electronic properties. As it is the case for all semiconductors, however, the physical…
Control on spatial location and density of defects in 2D materials can be achieved using electron beam irradiation. Conversely, ultralow accelerating voltages (less than or equal to 5kV) are used to measure surface morphology, with no…
We present in-depth measurements of the electronic band structure of the transition-metal dichalcogenides (TMDs) MoS2 and WS2 using angle-resolved photoemission spectroscopy, with focus on the energy splittings in their valence bands at the…