Related papers: Mo_6S_6 nanowires: structural, mechanical and elec…
3$d$ based double perovskite materials have received much attention in recent years due to their exotic magnetic structure and magneto-electric coupling. In this work we have prepared and studied the nano-crystalline sample of…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…
Density functional theory has been applied to investigate the electronic structure and lattice stability of molybdenene monolayer in both its hexagonal and triclinic phases, within ultrasoft pseudopotential approach. In agreement with…
We have used angle resolved photoemission spectroscopy to investigate the band structure of ReS$_2$, a transition-metal dichalcogenide semiconductor with a distorted 1T crystal structure. We find a large number of narrow valence bands,…
Layered transition-metal dichalcogenides have emerged as exciting material systems with atomically thin geometries and unique electronic properties. Pressure is a powerful tool for continuously tuning their crystal and electronic structures…
Twisted transition-metal dichalcogenides host highly tunable moir\'e potentials, flat bands, and correlated electronic phases, yet the role of disorder in shaping these emergent properties remains largely unresolved. Using scanning…
A microscopic physical analysis of the various resistive effects involved in the electronic detection of single biomolecules in a nanopore of a MoS2 nanoribbon is presented. The analysis relies on a combined experimental-theoretical…
Metal nanowires exhibit a number of interesting properties: their electrical conductance is quantized, their shot-noise is suppressed by the Pauli principle, and they are remarkably strong and stable. We show that many of these properties…
Long-range order in quasi-one-dimensional (q1D) arrays of superconducting nanowires is established via a dimensional crossover from a fluctuating 1D regime to a phase-coherent 3D ground state. If a homogeneous crystalline superconductor…
Electronic band structure and energetic stability of two types of and oriented silicon nanowires in beta-Sn phase with the surface terminated by hydrogen atoms were studied using density functional theory. It was found that beta-Sn…
We have carried out a preliminary design and simulation of a single-electron resistive switch based on a system of two linear, parallel, electrostatically-coupled molecules: one implementing a single-electron transistor and another serving…
A remarkably quantitative understanding of the electrical and mechanical properties of metal wires with a thickness on the scale of a nanometer has been obtained within the free-electron model using semiclassical techniques. Convergent…
Crystalline nanoporous molecular networks are assembled on the Ag(111) surface, where the pores confine electrons originating from the surface state of the metal. Depending on the pore sizes and their coupling, an antibonding level is…
Novel physical phenomena emerge in ultra-small sized nanomaterials. We study the limiting small-size-dependent properties of MoS$_{2}$ monolayer rhombic nanoflakes using density-functional theory on structures of size up to…
Two dimensional materials offer a path forward for smaller and more efficient devices. Their optical and electronic properties give way to beat the limits set in place by Moore's Law. Plasmon are the collective oscillations of electrons and…
Molybdenum disulfide (MoS$_2$) nanoribbons have attracted increased interest due to their properties which can be tailored by tuning their dimensions. Herein, we demonstrate the growth of highly crystalline quasi-one-dimensional (1D)MoS$_2$…
The optical and vibrational properties of nanocrystalline thin films of MoS2, comprised of a mixture of edge terminated vertically aligned (ETVA) and (001)-oriented regions, on large insulating substrates are reported. From high resolution…
Nanomaterials are prone to influence by chemical adsorption because of their large surface to volume ratios. This enables sensitive detection of adsorbed chemical species which, in turn, can tune the property of the host material. Recent…
Synthesis, crystal and electronic structure, and physical properties of the Mo$_6$Ga$_{31}$ endohedral cluster superconductor are reported. The compound has two crystallographic modifications, monoclinic and triclinic, in which the same…
The mechanical, structural, electronic and magnetic properties of s-triazine sheet (C6N6) with embedded Mn atom (Mn-C6N6) is investigated under the influence of external environment using density functional theory. Our results show that…