Related papers: Coherent electron transport through an azobenzene …
We show that the recently synthesized charge-transfer material picene/F4TCNQ can be used as a gate-voltage controlled molecular switch. The picene/F4TCNQ system is compared with the extensive characterized anthraquinone-based molecular…
An analytical theory of high voltage reverse-biased p+-n-n+-structures picosecond switching into conducting state by pulsed lighting has been developed and a numerical simulation of this process has been performed. Combining the results of…
The low-temperature transport properties of a molecule are studied in the field-effect transitor geometry. The molecule has an internal mechanical mode that modulates its electronic levels and renormalizes both the interactions and the…
Building upon traditional quantum chemistry calculations, we have implemented an {\em ab-initio} method to study the electrical transport in nanocontacts. We illustrate our technique calculating the conductance of C$_{60}$ molecules…
Molecular electronics targets tiny devices exploiting the electronic properties of the molecular orbitals, which can be tailored and controlled by the chemical structure/conformation of the molecules. Many functional devices have been…
This note discusses the relationship between a given intramolecular bridge assisted electron transfer rate and the corresponding zero bias molecular conduction of the same molecular species.
The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…
Electron transport through a single-level quantum dot weakly coupled to Luttinger liquid leads is considered in the master equation approach. It is shown that for a weak or moderately strong interaction the differential conductance…
Electron injection from an adsorbed molecule to the substrate (heterogeneous electron transfer) is studied. One reaction coordinate is used to model this process. The surface phonons and/or the electron-hole pairs together with the internal…
Reversible exchange of photons between a material and an optical cavity can lead to the formation of hybrid light--matter states where material properties such as the work function\cite{Hutchison_AM2013a}, chemical…
The mechanical properties of azobenzene-containing polymer films are statistically measured by instrumented nanoindentation experiment in the dark and under illumination in the absorption band of the azobenzene molecules, with special…
Recent years have shown steady progress in research towards molecular electronics [1,2], where molecules have been investigated as switches [3-5], diodes [6], and electronic mixers [7]. In much of the previous work a Scanning Tunnelling…
A novel mechanism for switching a molecular junction based on a proton transfer reaction triggered by an external electrostatic field is proposed. As a specific example to demonstrate the feasibility of the mechanism, the tautomers…
We describe two different modes for electronically detecting an adsorbed molecule using a nanoscale transistor. The attachment of an ionic molecular target shifts the threshold voltage through modulation of the depletion layer…
Strong light-matter coupling is a quantum process in which light and matter are coupled together, generating hybridized states. This is similar to the notion of molecular hybridization, but one of the components is light. Here, we utilized…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…
Molecular wires (MW) are the fundamental building blocks for molecular electronic devices. They consist of a molecular unit connected to two continuum reservoirs of electrons (usually metallic leads). We rely on Landauer theory as the basis…
We consider exciton- and light-induced current in molecular nanojunctions. Using a model comprising a two two-level sites bridge connecting free electron reservoirs we show that the exciton coupling between the sites of the molecular bridge…
We demonstrate that the conductance switching of benzo-bis(imidazole) molecules upon protonation depends on the lateral functional groups. The protonated H-substituted molecule shows a higher conductance than the neutral one (Gpro>Gneu),…
We present the first in a series of microscopic studies of electrical transport through individual molecules with metallic contacts. We view the molecules as ``heterostructures'' composed of chemically well-defined atomic groups, and…