相关论文: Resistance of a Molecule

The quantum conductance properties of pyrene molecule and its silicone-doped variant between semi-infinite aluminum nano-chains have been investigated by using the density functional theory (DFT) combined with the non-equilibrium Green…

The transport properties of a conduction junction model characterized by two mutually coupled channels that strongly differ in their couplings to the leads are investigated. Models of this type describe molecular redox junctions (where a…

A recent experiment reports a non-local spin-signal that shows oscillatory behavior as a function of gate voltage when the contacts are magnetized along the direction of current flow, but not when they are magnetized perpendicular to the…

We study the electron transport properties through a supported organic molecule styrene (C8H8) on an ideal silicon surface Si[111] and probed by a STM-tip. The I-V characteristics and the differential conductance of the molecule are…

By carrying out density functional theory (DFT) analysis within the Keldysh non-equilibrium Green's function (NEGF) framework, we investigate the quantum transport properties of Au-C60-Au molecular junctions from the first principles. We…

Negative differential resistance - a decrease in current with increasing bias voltage - is a counter-intuitive effect that is observed in various molecular junctions. Here, we present a novel mechanism that may be responsible for such an…

A nanochannel subjected to both a potential and concentration gradient has an asymmetric current-voltage, I-V, response with three primary characteristics: the Ohmic conductance, G, the current at zero voltage, I(v=0), and the voltage at…

Current experimental and theoretical studies on the effect of intermolecular interactions on molecular conduction appear to be in conflict with each other. In particular, some experimental results, e.g., the observation of 2-dimensional…

We use the scattering states numerical renormalization group (SNRG) approach to calculate the current $I(V)$ through a single molecular level coupled to a local molecular phonon. The suppression of $I$ for asymmetric junctions with…

Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different…

Nonequilibrium Greens function techniques (NEGF) combined with density functional theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nanojunctions in the coherent…

We theoretically analyze correlation effects on the transport properties of a benzene molecule that are mediated by interactions between the motion of the nuclei and the transmitted charge. We focus on the lowest-lying molecular vibrational…

We use the recently proposed scattering states numerical renormalization group (SNRG) approach to calculate $I(V)$ and the differential conductance through a single molecular level coupled to a local molecular phonon. We also discuss the…

Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…

Single-molecule transistors provide a unique experimental tool to investigate the coupling between charge transport and the molecular degrees of freedom in individual molecules. One interesting class of molecules for such experiments are…

In this work we consider a current carrying molecular junction with both electron-phonon and electron-electron interactions taken into account. After performing Lang-Firsov transformation and considering Markov approximations in accordance…

In molecular charge transport, transition voltage spectroscopy (TVS) holds the promise that molecular energy levels can be explored at bias voltages lower than required for resonant tunneling. We investigate the theoretical basis of this…

The transport properties of quantum dots with up to N=7 electrons ranging from the weak to the strong interacting regime are investigated via the projected Hartree-Fock technique. As interactions increase radial order develops in the dot,…

One of the most primitive but elusive current-voltage (I-V) responses of a superconductor is when its supercurrent grows steadily after a voltage is first applied. The present work employed a measurement system that could simultaneously…

Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…