Related papers: How an electrical current can stabilize a molecula…
We study the dynamics of the electron current in nanodevices where there are time-varying components and interactions. These devices are a nanojunction attached to heat baths and with dynamical electron-phonon interactions and a…
The recent discovery that electrons in nano-scale conductors can act like a highly viscous liquid has triggered a surge of research activities investigating consequences of this surprising fact. Here we demonstrate that the electronic…
Using first-principles calculations based on density functional theory combined with the non-equilibrium Green's function approach, the transport behaviors of a single-molecule junction formed by benzenedithiol connected to gold electrodes…
We consider charge transport through a nanoscopic object, e.g. single molecules, short nanotubes, or quantum dots, that is weakly coupled to metallic electrodes. We account for several levels of the molecule/quantum dot with level-dependent…
Two recent experimental (Li, J.~\emphj{et al}, \emph{Proc.\ Natl.\ Acad.\ Sci.\ U.~S.~A.} {\bf 2014}, 111, 1282-1287) and theoretical studies (B\^aldea, I, \emph{Phys.\ Chem.\ Chem.\ Phys.}\ {\bf 2014}, 16, 25942-25949) have addressed the…
Vibrationally inelastic electron transport through a molecular bridge that is connected to two leads is investigated. The study is based on a generic model of vibrational excitation in resonant transmission of electrons through a molecular…
The proper design and synthesis of molecular junctions for the purpose of establishing percolative networks of conductive nanoparticles represent an opportunity to develop more efficient thermally-conductive nanocomposites, with several…
In molecular devices electronic degrees of freedom are coupled to vibrational modes of the molecule, offering an opportunity to study fundamental aspects of this coupling between at the nanoscale. To this end we consider the nonequilibrium…
We investigate theoretically the transport properties of a mesoscopic system driven by a sequence of rectangular pulses applied at the contact to the input (left) lead. The characteristics of the current which would be measured in the…
We present electronic transport measurements through thiolated C$_{60}$ molecules in liquid environment. The molecules were placed within a mechanically controllable break junction using a single anchoring group per molecule. When varying…
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…
We study numerically the influence of strong Coulomb repulsion on the current through molecular wires that are driven by external electromagnetic fields. The molecule is described by a tight-binding model whose first and last site is…
The strong coupling between electronic transport in a single-level quantum dot and a capacitively coupled nano-mechanical oscillator may lead to a transition towards a mechanically-bistable and blocked-current state. Its observation is at…
We theoretically analyze the spectrum of a magnetic molecule when its charge and spin can couple to the molecular vibrations. More specifically, we show that the interplay between charge-vibron and spin-vibron coupling leads to a…
A nondissipative supercurrent state of a Josephson junction is metastable with respect to the formation of a finite-resistance state. This transition is driven by fluctuations, thermal at high temperatures and quantum at low temperatures.…
The role of the discontinuity of the exchange-correlation potential of density functional theory is studied in the context of electron transport and shown to be intimately related to Coulomb blockade. By following the time evolution of an…
By using a propagation scheme for current matrices and an auxiliary mode expansion method, we investigate the transient dynamics of a single molecular junction coupled with a vibrational mode. Our approach is based on the Anderson-Holstein…
As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…
Self-assembled-monolayer (SAM) molecular junctions (MJs) constitute a promising building block candidate for future molecular electronic devices. Transport properties of SAM-MJs are usually calculate using either the phenomenological…
Atomic-sized junctions of iron, created by controlled rupture, present unusually high values of conductance compared to other metals. This result is counter-intuitive since, at the nanoscale, body-centered cubic metals are expected to…