相关论文: First-Principles conductance of nanoscale junction…

Electrically connected and plasmonically enhanced molecular junctions combine the optical functionalities of high field confinement and enhancement (cavity function), and of high radiative efficiency (antenna function) with the electrical…

Understanding the properties of electronic transport across metal-molecule interfaces is of central importance for controlling a large variety of molecular-based devices such as organic light emitting diodes, nanoscale organic spin-valves…

Electrical conductivity is an inherent property of a hydrophobic porous media (HPM) and has critical applications. This research aims to provide a solution for predicting the electrical conductivity of nanoscale HPM with heterogeneous pore…

In this work, a new theoretical approach to study the non-equilibrium transport properties of nanoscale systems coupled to metallic electrodes with strong electron-phonon interactions is presented. The proposed approach consists in a…

We present a novel formulation to calculate transport through disordered superconductors connected between two metallic leads. An exact expression for the current is derived, and is applied to a superconducting sample described by the…

We have proposed an analytical model for the electrical conductivity in random, metallic, nanowire networks. We have mimicked such random nanowire networks as random resistor networks (RRN) produced by the homogeneous, isotropic, and random…

We present a first-principles investigation to show that the contact conductance of a half conductance quantum ($G_0/2$) found previously does not generally hold for single-atom magnetic junctions composed of a tip and an adatom dsorbed on…

Understanding of charge transport mechanisms in nanoscale structures is essential for the development of molecular electronic devices. Charge transport through 1D molecular systems connected between two contacts is influenced by several…

Metallic nanostructures (the nanofilms and nanowires) are widely used in electronic devices, and their thermal transport properties are crucial for heat dissipation. However, there are still gaps in understanding thermal transport in…

Precipitation and dissolution are prime processes in carbonate rocks and being able to monitor them is of major importance for aquifer and reservoir exploitation or environmental studies. Electrical conductivity is a physical property…

We have analyzed the atomic arrangements and quantum conductance of silver nanowires generated by mechanical elongation. The surface properties of Ag induce unexpected structural properties, as for example, predominance of high aspect ratio…

We study the conductance of three or more semi-infinite wires which meet at a junction. The electrons in the wires are taken to interact weakly with each other through a short-range density-density interaction, and they encounter a general…

We study macroscopic electrical or thermal conductivity of a composite made of straight or coiled nanowires suspended in poorly conducting medium. We assume that volume fraction of the wires is so large that spaces occupied by them overlap,…

Conductance of zigzag interfaces between graphene sheet and normal metal is investigated in the tight-binding approximation. Boundary conditions, valid for a variety of scattering problems, are constructed and applied to the normal metal --…

We have studied the electrical conductivity of nanoring-based, transparent conductive films, these being promising elements for flexible electronic devices. Both the wire resistance and the junction resistance were taken into account. We…

We derive an expression for the 4-point conductance of a general quantum junction in terms of the density response function. Our formulation allows us to show that the 4-point conductance of an interacting electronic system possessing…

We present a first-principles calculation of the electronic conduction properties of single-row sodium nanowires suspended between semi-infinite electrodes. The conductance of the nanowire is ~1 G0 (=2e^2/h) and oscillates with a two-atom…

A first-principles method, based on density functional perturbation theory, is presented for computing the leading order tunability of high-dielectric-constant materials.

The electrostatic interaction between metal spheres is an influential component in the assembly of many nanoscale materials in chemistry. Here we derive a method to calculate the energy and polarizations of metal spheres in arbitrary…

Theoretical treatments of tunneling in electronic devices are often based on one-dimensional (1D) approximations. Here we show that for many nanoscale devices, such as widely studied semiconductor gate-defined quantum dots, 1D…