相关论文: Thermal Properties of Disordered LixMoS2 - An Ab-I…
Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…
Mixed ionic-electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and stability of transport channels in our recently developed MIEC…
Amorphous molybdenum silicide compounds have attracted significant interest for potential device applications, particularly in single-photon detector. In this work, the temperature-dependent resistance and magneto-resistance behaviors were…
The temperature-induced orthorhombic to cubic phase transition in Li2C2 is a prototypical example of a solid to solid phase transformation between an ordered phase, which is well described within the phonon theory, and a dynamically…
The present work refers to a simulation study on nanoconfined polymers in polymer-MoS 2 nanocomposites as a function of MoS 2 -MoS 2 interlayer separation. We indeed apply reverse nonequlibrium molecular dynamics simulations (RNEMD) to…
We report a record low thermal conductivity in polycrystalline MoS2 obtained by varying grain sizes and orientations in ultrathin films. By optimizing the sulphurisation parameters of nanometre-thick Mo layer, we could grow MoS2 films with…
We establish the nonequilibrium thermal phases of a voltage driven antiferromagnetic Mott insulator in three dimensions, realised at steady state under a voltage bias. Starting from the Keldysh action for the half filled Hubbard model we…
Nanomechanical resonators have emerged as sensors with exceptional sensitivities. These sensing capabilities open new possibilities in the studies of the thermodynamic properties in condensed matter. Here, we use mechanical sensing as a…
The possibility of the strong electron-electron interaction driven insulating phase from the metallic phase in two-dimensions has been suggested for clean systems without intentional disorder, but its rigorous demonstration is still…
We show that by combining high-k dielectric substrate and high density of charge carriers, Coulomb impurity can be effectively screened, leading to an unprecedented room-temperature mobility of ~150cm2/Vs in monolayer MoS2. The high sample…
TiCoSb1+x (x=0.0, 0.01, 0.02, 0.03, 0.04, 0.06) samples have been synthesized, employing solid state reaction method followed by arc menting. Theoretical calculations, using Density Functional Theory (DFT) have been performed to estimate…
We apply the generalized Boltzmann theory to describe thermoelectric transport properties of monolayer phosphorene in the presence of short- and long-range charged impurity interactions. First, we propose a low-energy Hamiltonian to explore…
Molybdenum trioxide (MoO$_3$) in-plane anisotropy has increasingly attracted the attention of the scientific community in the last few years. Many of the observed in-plane anisotropic properties stem from the anisotropic refractive index…
Borophene, an atomically thin, corrugated, crystalline two-dimensional boron sheet, has been recently synthesized. We investigate mechanical properties and lattice thermal conductivity of borophene via reactive molecular dynamics…
We investigate the superconducting properties of molybdenum disulphide (MoS$_2$) monolayer across a broad doping range, successfully recreating the so far unresolved superconducting dome. Our first-principles findings reveal several…
The metastable 1$T'$ phase of layered transition metal dichalcogenides has recently attracted considerable interest due to electronic properties, possible topological electronic phases and catalytic activity. We report a comprehensive…
Transition metal oxides such as vanadium dioxide (VO$_2$), niobium dioxide (NbO$_2$), and titanium sesquioxide (Ti$_2$O$_3$) are known to undergo a temperature-dependent metal-insulator transition (MIT) in conjunction with a structural…
Progress in developing advanced photonic devices relies on introducing new materials, discovered physical principles, and optimal designs when constructing their components. Optical systems operating on the principles of excitation of…
A momentum balance equation is developed to investigate the magnetotransport properties in monolayer molybdenum disulphide when a strong perpendicular magnetic field and a weak in-plane electric field are applied simultaneously. At low…
Two-dimensional molybdenum disulfide (MoS2) is an excellent channel material for ultra-thin field effect transistors. However, high contact resistance across the metal-MoS2 interface continues to limit its widespread realization. Here,…