相关论文: Wave packet propagation study of the charge transf…
The motion of ions in the fields B = B_0 zhat and E = E_0 yhat cos(k_perp y - omega t) is considered. When omega >> Omega_i and v_perp > omega/k_perp, the equations of motion may be reduced to a set of difference equations. These equations…
Classical and quantum dynamics are important limits for the understanding of the transport characteristics of interacting electrons in nanodevices. Here we apply an intermediate semiclassical approach to investigate the dynamics of two…
When an ionic liquid adsorbs onto a porous electrode, its ionic arrangement is deeply modified due to a screening of the Coulombic interactions by the metallic surface and by the confinement imposed upon it by the electrode's morphology. In…
Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been…
We investigate the fracture of Li-ion battery cathodic particles using a thermodynamically consistent phase-field approach that can describe arbitrarily complex crack paths and captures the full coupling between Li-ion diffusion, stress,…
The transport and dispersion of multiple species of charged ions are central to many biological and physical processes, including electrokinetic ion separation. However, most theoretical studies of dispersion in channels have focused on…
Liquid-based bio-applications of graphene require a quantitative understanding of the graphene-liquid interface, with the surface charge density of adsorbed ions, the interfacial charge transfer resistance, and the interfacial charge noise…
For scalar reaction-diffusion equations, a traveling wave is a front which transforms a higher energy state to a lower energy state. The same is true for a system of equations with a gradient structure. At the core of this phenomenon, the…
In this paper, we study the propagation of wave packets close to conical intersections with respect to a system of two Schr{\"o}dinger equations presenting a codimension 2 crossing. We focus on the dynamics that occur when the wave packets…
We use the Dirac continuum model to study the propagation of electronic wave packets in graphene with periodically arranged circular potential steps. The time propagation of the wave packets are calculated using the split-operator method…
We discuss a new mechanism for the electron capture in fast ion-atom collisions. Similarly like in the radiative capture, where the electron transfer occurs due to photon emission, within the mechanism under consideration the electron…
We theoretically investigate the electron transport properties for a semiconductor quantum wire containing a single finite-size attractive impurity under an external terahertz electromagnetic field illumination in the ballistic limit.…
Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong…
The origin of the apparent negative charge at hydrophobic-water interfaces has fueled one of the biggest debates in physical chemistry for several decades. The most common interpretation given to explain this observation is that negatively…
We investigate the propagation of electromagnetic waves in transverse magnetic (TM) mode through the structure of materials interface that have permittivity or permeability profile graded positive-negative using asymptotic iteration method…
We consider a model of an electron in a crystal moving under the influence of an external electric field: Schroedinger's equation in one spatial dimension with a potential which is the sum of a periodic function $V$ and a smooth function…
Wave propagation phenomena in soils can be experimentally simulated using centrifuge scale models. An original excitation device (drop-ball arrangement) is proposed to generate short wave trains. Wave reflections on model boundaries are…
The possibility of electron beam guiding is theoretically explored on the surface of a topological insulator through the proximity interaction with a magnetic material. The electronic band modification induced by the exchange coupling at…
The transport of charged particles in the heliosphere and the interstellar medium is governed by the interaction of particles and magnetic irregularities. For the transport of protons a rather simple model using a linear Alfv\'en wave…
Fluctuating-charge models are computationally efficient methods of treating polarization and charge-transfer phenomena in molecular mechanics and classical molecular dynamics simulations. They are also theoretically appealing as they are…