相关论文: Wave packet propagation study of the charge transf…
The K x-ray spectra of different targets (Cu, Zn, and Ge) induced by 3 to 5 MeV/u Si projectile ions have been measured to determine the K-shell ionization cross-section. A significant difference is observed between the measurements and…
This chapter is a pedagogical review of methods and results for studying wave propagation in one-dimensional complex structures. We describe and compare the tight-binding, scattering matrix, transfer matrix and Riccati formalisms. We…
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…
A theoretical investigation is made of acoustic wave propagation in a periodically stubbed waveguide. In general the waveguide segments and stubs are made of different materials. The acoustic wave in such a system has two independent…
The wavelength and the propagation length of the edge magnetoplasmons, running along the edge of a two-dimensional electron layer in a semiconductor quantum-well structure are theoretically studied as a function of frequency, magnetic…
The "near-field" propagation modeling of wireless channels is necessary to support sixth-generation (6G) technologies, such as intelligent reflecting surface (IRS), that are enabled by large aperture antennas and higher frequency carriers.…
We study the dispersion interaction of the van der Waals and Casimir-Polder (vdW-CP) type between a neutral atom and the surface of a metal by allowing for nonlocal electrodynamics, i.e. electron diffusion. We consider two models: (i) bulk…
We investigate the electron transfer from a dissociatively adsorbed H2 molecule to a Au(111) surface using the first-principles methods. A fractional electron transfers from a molecule to a substrate, and potential energy increases during…
The early stage of the reactive interdiffusion in the Cu-Al system was investigated at 350 {\textdegree}C and 300 {\textdegree}C thanks to in-situ transmission electron microscopy. A special care was given to find conditions where the…
The propagation of inertio-gravity waves (IGW) into the deep-sea is relevant for energy transfer to turbulence where waves break, and thus for redistribution of nutrients, oxygen and suspended matter. In constant stratification, vertical…
Numerical methods are developed to simulate the wave propagation in heterogeneous 2D fluid / poroelastic media. Wave propagation is described by the usual acoustics equations (in the fluid medium) and by the low-frequency Biot's equations…
In this work, we present a computational analysis of the planar wave propagation behavior of a one-dimensional periodic multi-stable cellular material. Wave propagation in these materials is interesting because they combine the ability of…
Fast long-range interactions between distant quantum dots in arrays remains an unsolved issue, which can be key to solve scalability issues in quantum simulation and computation processes, particularly related to the overhead associated…
Resonant transmission occurs when constructive interference results in the complete passage of an incoming wave through an array of barriers. In this paper we explore such a scenario with one dimensional models. We adopt wave packets with…
Charge state distributions of $^{56}$Fe and $^{58}$Ni projectile ions passing through thin carbon foils have been studied in the energy range of 1.44 - 2.69 MeV/u using a novel method from the x-ray spectroscopy technique. Interestingly the…
The electric double layer (EDL) governs electrocatalysis, energy conversion, and storage, yet its atomic structure, capacitance, and reactivity remain elusive. Here we introduce a machine learning interatomic potential framework that…
Within the framework of a model representing the potential of a graphene sheet U(z) as an electro-neutral layer formed by smeared carbon atoms, the effect of this potential on spectral characteristics of atoms adsorbed on a graphene sheet…
The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…
Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…
With angle resolved photoemission experiments and \emph{ab-initio} electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted allowing the molecular orientation and an unambiguous…