Related papers: Electron Transfer from Hydrogen Molecule to Au(111…
Non-equilibrium Green's functions calculations based on density functional theory show a direct link between the initial stages of H$_2$ dissociation on a gold atomic wire and the electronic current supported by the gold wire. The…
Bremsstrahlung from relativistic electrons is considered under conditions when some transverse direction of momentum transfer is statistically preferred. It is shown that in the dipole approximation all the medium anisotropy effects can be…
The ability of metal adsorption to transfer charge to the surface of single molecular carbon sheets is explored in this paper. Though other metals are considered we basically will deal with Lithium We concentrate on fairly small sheets and…
The HeH$^+$ cation is the simplest molecular prototype of the indirect dissociative recombination (DR) process that proceeds through electron capture into Rydberg states of the corresponding neutral molecule. This Letter develops the first…
When a molecule dissociates, the exact Kohn-Sham (KS) and Pauli potentials may form step structures. Reproducing these steps correctly is central for the description of dissociation and charge-transfer processes in density functional theory…
Using the pseudopotential density functional method as well as equilibrium thermodynamic functions, we explore the process of releasing H2 molecules adsorbed on a transition metal atom caused by the hydrogen-ammonia partial pressure…
In this work, we investigate the relative importance of electronic and phononic energy dissipation during the molecular adsorption of CO on Cu(110). Initial sticking probabilities as a function of impact energy for CO impinging at normal…
The present work investigates electron transport and heating mechanisms using an (r, z) particle-in-cell (PIC) simulation of a typical rf-driven axisymmetric magnetron discharge with a conducting target. It is shown that for the considered…
First-principle density-functional calculations have been applied to study the interaction of molecular chlorine with the (111) plane of copper. Using transition-state search method, we considered the elementary processes (Cl$_2$…
We present experimental results for dissociative electron attachment to acetylene near the 3 eV $^2\Pi_g$ resonance. In particular, we use an ion-momentum imaging technique to investigate the dissociation channel leading to C$_2$H$^-$…
The effect of hydrogen adsorption on the magnetic properties of an Fe$_3$ cluster immersed in a Cu(111) surface has been calculated using densifty functional theory and the results used to parametrize an Alexander-Anderson model which takes…
In this review we consider those processes in condensed matter that involve the irreversible flow of energy between electrons and nuclei that follows from a system being taken out of equilibrium. We survey some of the more important…
We investigate the problem of the electron interacting with the charge induced on the metal or dielectric surface. We show that the interaction between the electron and the induced surface charge leads to the lateral confinement of the…
We report the first six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption. Using a potential energy surface obtained by density functional theory calculations, we show that the initial decrease…
Tunneling of electrons through the barriers in heterostructures has been studied, within unified transfer matrix approach. The effect of barrier width on the transmission coefficient of the electrons has been investigated for different…
The decoherence of trapped-ion quantum gates due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from the trap-electrode surfaces. In this work,…
We consider the survival of solid H2 in the diffuse interstellar medium, with application to grains which are small enough to qualify as dust. Consideration of only the thermal aspects of this problem leads to the familiar conclusion that…
Nowadays, electrochemical reduction of CO$_2$ has been considered as an effective method to solve the problem of global warming. The primary challenge in studying the mechanism is to determine the adsorption states of CO$_2$, since…
The charge transfer (ionization) of hydrogen Rydberg atoms (principal quantum number $n=25-34$) incident at a Cu(100) surface is investigated. Unlike fully metallic surfaces, where the Rydberg electron energy is degenerate with the…
The partial reflection of an electromagnetic (EM) wave from a medium leads to absorption of momentum in the direction perpendicular to the surface (the standard radiation pressure) {and, for oblique incidence on a partially reflecting…