Related papers: Current-voltage curves for molecular junctions: th…
We present current-voltage (I-V) curves computed using all-electron basis sets on the conducting molecule. The all-electron results are very similar to previous results obtained using effective core potentials (ECP). A hybrid integration…
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…
The variation of current I with voltage V for poly(phenylene vinylene) and other polymer light-emitting diodes has been attributed to carriers tunneling into broad conduction and valence bands. In actuality the electrons and holes tunnel…
We use a self-consistent method to study the distinct current-switch of $2^{'}$-amino-4-ethynylphenyl-4'-ethynylphenyl-5'-nitro-1-benzenethiol, from the first-principles calculations. The numerical results are in accord with the early…
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…
We investigate the origin of asymmetry in various measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry, with particular focus on a recent break junction measurement. We argue that such asymmetry…
Conduction in pristine conjugated polymers (other than polyacetylene) is by polaron hopping between sites corresponding to conjugation lengths. The strong increase of current $I$ with voltage $V$ observed for both emission-limited and ohmic…
The effect of substituting a hydrogen atom by a chlorine atom or a methyl group by a trichloromethyl (CCl3) group at the stereogenic center of light-driven second generation molecular motors is calculated in order to assess the effect on…
We consider exciton effects on current in molecular nanojunctions, using a model comprising a two two-level sites bridge connecting free electron reservoirs. Expanding the density operator in the many-electron eigenstates of the uncoupled…
The electronic transport through Au-(Cu$_{2}$O)$_n$-Au junctions is investigated using first-principles calculations and the nonequilibrium Green's function method. The effect of varying the thickness (i.e., $n$) is studied as well as that…
We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…
The current-voltage ($I$-$V$) characteristics of break junctions of polycrystalline La$_{1.85}$Sr$_{0.15}$CuO$_4$, Y$_{0.75}$Lu$_{0.25}$Ba$_2$Cu$_3$O$_{7-\delta}$, Bi$_{1.8}$Pb$_{0.3}$Sr$_{1.9}$Ca$_2$Cu$_3$O$_x$ and composite…
Current-voltage characteristics of Au~/~YBa$_2$Cu$_3$O$_{7-\delta}$ interfaces (Au/YBCO), built on optimally-doped YBCO thin films, grown by pulsed laser deposition, were measured as a function of temperature in the 50 K to 270 K range, for…
Using a pi-orbital tight-binding model, we study the elastic and photoassisted transport properties of metal-molecule-metal junctions based on oligophenylenes of varying lengths. The effect of monochromatic light is modeled with an ac…
In this paper, we aim to understand the apparent characteristics of IQE and I-V curve in AlGaInP and InGaN LED devices. For the analysis, we separate the current into radiative current and non-radiative current component by using the…
We investigate, by means of first-principles calculations, structural and transport properties of junctions made of symmetric dithiolated molecules placed between Au electrodes. As the electrodes are pulled apart, we find that it becomes…
We have studied the influence of both exciton effects and Coulomb repulsion on current in molecular nanojunctions. We show that dipolar energy-transfer interactions between the sites in the wire can at high voltage compensate Coulomb…
We have carried out calculations of electron transport through a metal-molecule-metal junction with metal nanoclusters taking the part of electrodes. We show that negative differential resistance peaks could appear in the current-voltage…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…
We have measured conductance histograms of atomic point contacts made from the noble-transition metal alloys CuNi, AgPd, and AuPt for a concentration ratio of 1:1. For all alloys these histograms at low bias voltage (below 300 mV) resemble…