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Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
The cohesion and conductance of a point contact in a two-dimensional metallic nanowire are investigated in an independent-electron model with hard-wall boundary conditions. All properties of the nanowire are related to the Green's function…
Two-dimensional polyaniline with C$_3$N stoichiometry, is a newly fabricated layered material that has been expected to possess fascinating electronic, thermal, mechanical and chemical properties. The nature of its counterpart…
Self-assembled networks of metallic nanowires (NWs) are being intensively explored as test benches for neuromorphic proposals. In this work, we study the electric transport properties of dense self-assembled networks of Ag-based NWs…
Layered materials that stack different lattice symmetries are rare in nature. Misfit layered chalcogenides, which combine square and hexagonal lattices of rocksalt monochalcogenides and transition-metal dichalcogenides, provide a platform…
Transport properties of asymmetric molecular structure are studied within the kinetic equation approach, taking into consideration the electron interaction in the self-consistent manner (SCF procedure). The device is made of a molecule…
A 20-band sp3d5s* spin-orbit-coupled, semi-empirical, atomistic tight-binding model is used with a semi-classical, ballistic, field-effect-transistor (FET) model, to examine the ON-current variations to size variations of [110] oriented…
A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…
Electrical current rectification is an interesting electronic feature, popularly known as a diode. Achieving a high rectification ratio in a molecular junction has been a long-standing goal in molecular electronics. The present work…
Semiconductor nanowires (NWs) have a broad range of applications for nano- and optoelectronics. The strain field of gallium nitride (GaN) NWs could be significantly changed when contacts are applied to them to form a final device,…
Low-molecular weight (LMW) hydrogels are gaining interest over macromolecular gels due to their reversible, dynamic and stimuli-responsive nature. They are potentially interesting functional materials for advanced applications such as…
Asymmetric i/V curves with respect to the polarity of the voltage bias were observed in the Hg-Au junctions containing bilayers of alkanethiols of different chain length. Larger current resulted when a negative bias was applied to the metal…
Highly aligned nanowire networks are essential for enabling anisotropic optical, electrical, and sensing functionalities in next-generation devices. However, achieving such alignment typically requires complex fabrication methods or…
Metal-semiconductor contacts play a key role in electronics. Here we show that for quasi-one-dimensional structures such as nanotubes and nanowires, side contact with the metal only leads to weak band re-alignement, in contrast to bulk…
The non-destructive characterization of nanoscale devices, such as those based on semiconductor nanowires, in terms of functional potentials is crucial for correlating device properties with their morphological/materials features, as well…
We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on…
For semimetal nanowires with diameters smaller than a few tens of nanometers, a semimetal-to-semiconductor transition is observed as the emergence of an energy band gap resulting from quantum confinement. Quantum confinement in a semimetal…
Metallic nanowires (NW) coated with a high permittivity dielectric are proposed as means to strongly reduce the light scattering of the conducting NW, rendering them transparent at infrared wavelengths of interest in telecommunications.…
Metallic barcode nanowires (BNWs) composed of repeating heterogeneous segments fabricated by template-assisted electrodeposition can offer extended functionality in magnetic, electrical, mechanical, and biomedical applications. We can…
Asymmetric mode transformation in waveguide is of great significance for on-chip integrated devices with one-way effect, while it is challenging to achieve asymmetric nonlinear-mode-conversion (NMC) due to the limitations imposed by…