Related papers: Current-voltage curves for molecular junctions: th…
The microchannel corner is a common inherent component of most planar microfluidic systems and thus its influence on the channel flow is of significant interest. Application of an alternating current electric field enables quantification of…
This Letter uncovers five distinct charge transport modes and their transitions in dual-energy electron beam diodes. We via first-principle particle-in-cell (PIC) simulations establish that the specific mode (e.g., space charge…
Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode levels, that are governed by…
Electronic excitations in dilute solutions of poly para phenylene ethynylene (poly-PPE) are studied using a QM/MM approach combining many-body Green's functions theory within the $GW$ approximation and the Bethe-Salpeter equation with…
The effects of the discharge voltage on the formation and nature of electric field transients in a symmetric, collisionless, very high frequency, capacitively coupled plasma are studied using a self-consistent particle-in-cell (PIC)…
The mutual influence of two layers with strongly loclized electrons is exercised through the random Coulomb shifts of site energies in one layer caused by electron hops in the other layer. We trace how these shifts give rise to a voltage…
It is observed experimentally that the sign of the Hall resistance can be flipped by a dc electric current in the twisted bilayer graphene (TBG) at 3/4 filling of the four-fold degenerate conduction flat bands. The experiment implies a…
We present first principles calculations of current-voltage characteristics (IVC) and conductance of Au(111):S2-cumulene-S2:Au(111) molecular wire junctions with realistic contacts. The transport properties are calculated using full…
This work introduces a new class of two-dimensional crystals with the structure AC$_8$XC$_8$, consisting of two layers of graphene, a chalcogen (X = O, S, Se, Te) intercalation layer, and an alkaline earth (A = Be, Ca, Mg, Sr, Ba) adlayer.…
The effect on molecular transport due to chemical modification of the metal-molecule interface is investigated, using as an example the prototypical molecular device formed by attaching a p-disubstituted benzene molecule onto two gold…
We demonstrate that the injection of the ballistic electrons into the two-dimensional electron plasma in lateral n$^+$-i-n-n$^+$ graphene field-effect transistors (G-FET) might lead to a substantial Coulomb drag of the quasi-equilibrium…
Previous luminescence and absorption experiments in Co-doped ZnO revealed two ionization and one intrashell transition of $d(\textrm{Co}^{2+})$ electrons. Those optical properties are analyzed within the generalized gradient approximation…
Molecular transistors have the potential for switching with lower gate voltages than conventional field-effect transistors. We have calculated the performance of a single-molecule device in which there is interference between electron…
We study charge transport through $N$-lead junctions ($N\geq 3$) of spinless Luttinger liquid wires with bias voltages applied to Fermi-liquid reservoirs. In particular, we consider a Y junction, which is a setup characteristic of the…
We investigate the shift current in two-dimensional (2D) Janus transition-metal dichalcogenides (TMDs). The shift current is evaluated using a real-time approach, where the coupling with an external field is described in terms of a…
Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…
The proposed semiclassical theory predicts two types of oscillations in the flow of current injected from a point source near a ballistic p-n junction in graphene in a strong magnetic field. One originates from the classical effect of…
We report on the characterization of Pt-YBa$_2$Cu$_3$O$_{7-\delta}$ interfaces, focusing on how oxygen vacancies content ($\delta$) affects electrical transport mechanisms. Our study examines four Pt-YBa$_2$Cu$_3$O$_{7-\delta}$ samples with…
In this work, we have implemented the Fisher-Lee formalism to couple non-equilibrium Green functions with tight-binding Density Functional to tackle large molecular systems. This method is used to determine the decay constant of a set of…
The high efficiency of charge generation within organic photovoltaic blends apparently contrasts with the strong "classical" attraction between newly formed electron-hole pairs. Several factors have been identified as possible facilitators…