相关论文: Mo_6S_6 nanowires: structural, mechanical and elec…
Understanding the interfacial electrical properties between metallic electrodes and low dimensional semiconductors is essential for both fundamental science and practical applications. Here we report the observation of thickness reduction…
The radial confining potential in a semiconductor nanowire plays a key role in determining its quantum transport properties. Previous reports have shown that an axial magnetic field induces flux-periodic conductance oscillations when the…
We studied the electrical conductivity of DNA molecules with conducting atomic force microscopy as a function of the chemical nature of the substrate surfaces, the nature of the electrical contact, and the number of DNA molecules (from a…
We systematically study the effect of high pressure on the structure, electronic structure and transport properties of 2H-MoS$_2$, based on first-principles density functional calculations and the Boltzmann transport theory. Our calculation…
Here we report the discovery of the first ternary molybdenum pnictide based superconductor K2Mo3As3. Polycrystalline samples were synthesized by the conventional solid state reaction method. X-ray diffraction analysis reveals a…
The possibility of tailoring the critical strain of 2D materials will be crucial for the fabrication of flexible devices. In this paper, the fracture in polycrystalline MoS2 films with two different grain orientations is studied at the…
We investigated the crystal structure, magnetic behavior, and optical properties of the layered honeycomb compound Na2Cu2TeO6. X-ray and neutron diffraction confirmed a monoclinic structure, with Cu ions arranged in dimerized chains.…
Mo2P as a new member of the advancing two-dimensional (2D) materials family has been theoretically identified in this study. We conducted extensive density functional theory calculations to explore the crystal structure, dynamical…
We present first-principles calculations on electron transport through Na nanowires at finite bias voltages. The nanowire exhibits a nonlinear current-voltage characteristic and negative differential conductance. The latter is explained by…
The features of electric transport in the powder samples consisting of the nanosize 2D-MoS2 flakes with different number of layers have been studied under the conditions of uniaxial pressure. There have been measured current-voltage…
Molybdenum disulfide (MoS$_2$) has attracted interest owing to its strain-tuned electronic and optical properties, making it a promising candidate for applications in strain engineering devices. In this study, we investigate the effect of…
We present an analytical investigation of the optical absorption spectrum of monolayer molybdenumdisulfide. Based on the density matrix formalism, our approach gives insights into the microscopic origin of excitonic transitions, their…
In this article, we use hybrid density functional (HSE06) to study the crystal and electronic structures and optical properties of well known phase change memory material $\mathrm{Ge_{2}Sb_{2}Te_{5}}$. We calculate the structural…
Electrostatic potentials strongly affect molecular energy levels and charge states, providing the fascinating opportunity of molecular gating. Their influence on molecular vibrations remains less explored. Here, we investigate…
Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…
Elastic constants and their derived properties of various cubic Heusler compounds were calculated using first-principles density functional theory. To begin with, Cu$_2$MnAl is used as a case study to explain the interpretation of the basic…
The exploration of electrides holds great promise for advancing both fundamental physics and chemistry, owing to their unique characteristics arising from loosely bound interstitial anionic electrons. Here we report a class of cross-chain…
Two-dimensional materials such as MoS2 have attracted much attention in recent years due to their fascinating optoelectronic properties. Dielectric property of MoS2 is desired for the optoelectronic application. In this paper, terahertz…
In this article, we investigate electrical transport properties in ultrathin body (UTB) MoS2 two-dimensional (2D) crystals with channel lengths ranging from 2 {\mu}m down to 50 nm. We compare the short channel behavior of sets of MOSFETs…
High electronic transport and reasonable chemical stability of molybdenum disulfide (MoS$_2$) make it very suitable for electrochemical applications. However, its energy storage capacity is still low compared with other nanostructures. In…