Related papers: Electron Transfer rate between a electrode and a b…
The rovibrational electric dipole transitions in the ground electronic state of the HD molecule are studied. A simple, yet rigorous formula is derived for the transition rates in terms of the electric dipole moment function $D(R)$, which is…
The problem of resonant transport of strongly interacting electrons through a one-dimensional single-level vibrating quantum dot is being considered. In this paper, we generalize the Komnik and Gogolin model [Phys. Rev. Lett., 90, 246403,…
We consider the time-dependent electron transport through a quantum dot connected to multiple leads in the presence of the additional over-dot (bridge) tunnelling channels by using the evolution operator technique. Each terminal and quantum…
We have reexamined the thermally induced Co(NH_3)_6^{2+/3+} [Co(II/III)] redox reaction using the first principles density-functional-theory method, semiclassical Marcus theory, and known charge transfer parameters. We confirm a previously…
Vibronic effects in resonant electron transport through single-molecule junctions are analyzed. The study is based on generic models for molecular junctions, which include electronic states on the molecular bridge that are vibrationally…
We consider the conductance of a one-dimensional wire interrupted by a double-barrier structure allowing for a resonant level. Using the electron-electron interaction strength as a small parameter, we are able to build a non-perturbative…
Electron transport characteristics are investigated through some molecular chains attached to two non-superconducting electrodes by the use of Green's function method. Here we do parametric calculations based on the tight-binding…
Marcus theory is fundamental to describing electron transfer reactions and quantifying their rates, effectively representing the energy surface associated with an electron transfer from the reactant to the product ionic state via parabolas…
Hydrogen bonding is essential in electron transfer processes at water-electrode interfaces. We study the impact of the H-bonding of water as a solvent molecule on real-time electron transfer dynamics across a Cs+-Cu(111) ion-metal interface…
Non-adiabatic molecular dynamics simulations are used to analyze the role of different solvent degrees of freedom in the non-radiative relaxation of the first excited state of the hydrated electron. The relaxation occurs through a…
A theory of electrical transport through molecular wires is used to estimate the electronic factor in the intramolecular electron transfer (ET) in porphyrin-nitrobenzene supermolecules, and to analyze its structure. The chosen molecules…
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this process in idealised systems consisting of the primitive model of…
Transmission of electrons across a rectangular barrier of IV-VI semiconductor compounds is considered. Conduction electrons arrive at the barrier and are reflected or transmitted through it depending on the relative values of the barrier…
In this work we theoretically study steady state thermoelectric transport through a single-molecule junction with a long chain-like bridge. Electron transmission through the system is computed using a tight-binding model for the bridge. We…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
In spin qubit arrays the exchange coupling can be harnessed to implement two-qubit gates and to realize intermediate-range qubit connectivity along a spin bus. In this work, we propose a scheme to characterize the exchange coupling between…
In all theoretical treatments of electron transport through single molecules between two metal electrodes, a clear distinction has to be made between a coherent transport regime with a strong coupling throughout the junction and a Coulomb…
We show that, in a magnetic field parallel to the 2D electron layer, strong electron correlations change the rate of tunneling from the layer exponentially. It results in a specific density dependence of the escape rate. The mechanism is a…
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…
We consider the time-dependent electron transport through a quantum dot coupled to two leads in the presence of the additional over-dot (bridge) tunneling channel. By using the evolution operator method together with the wide-band limit…