Related papers: Singular electrostatic energy of nanoparticle clus…
We investigate theoretically the formation of collective excitations in atomic scale quasi-one dimensional metallic nanostructures. The response of the system is calculated within the linear response theory and random phase approximation.…
We investigate the impact of dissipation on the energy balance in the electron dynamics of metal clusters excited by strong electro-magnetic pulses. The dynamics is described theoretically by Time-Dependent Density-Functional Theory (TDDFT)…
The electrostatic field energy due to two fixed pointlike charges shows some peculiar features concerning the distribution in space of the field energy density of the system. Here we discuss the evaluation of the field energy and the…
A semiclassical approach for calculating shell effects, that has been used in atomic and plasma physics, is applied to describe the electronic supershells in metal clusters. Using the spherical jellium model we give the analytical…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
Motivated by contradicting reports in the literature, we have investigated the structural stability of tungsten nanoparticles using density functional theory calculations. The comparison of BCC, FCC, A15, disordered, and icosahedral…
Physical properties of colloidal materials can be modified by addition of nanoparticles. Within a model of like-charged mixtures of particles governed by effective electrostatic interactions, we explore the influence of charged…
Neutral alkali clusters efficiently capture low-energy electrons with the aid of long-range polarization attraction. Upon attachment, the electron affinity and kinetic energy are dissipated into vibrations, heating the cluster and…
The properties and applications of metallic nanoparticles are inseparably connected not only to their detailed morphology and composition, but also to their structural configuration and mutual interactions. As a result, the assemblies often…
Theories of solvation free energies often involve electrostatic potentials at the position of a solute charge. Simulation calculations that apply cutoffs and periodic boundary conditions based on molecular centers result in center-dependent…
Using the embedded-atom method, the structure of small copper clusters on Au(111) electrodes has been investigated both by static and dynamic calculations. By varying the size of roughly circular clusters, the edge energy per atom is…
Compositional effects in NaK alloy clusters have been studied using bond order length strength notation and density functional theory calculations. The results reveal binding energy shifts of the NaK alloy clusters under different elemental…
Effects of the single-electron tunneling and the Coulomb blockade in a cluster structure (the molecular transistor) are investigated theoretically. In the framework of the particle-in-a-box model for the spherical and disk-shaped gold…
We report the formation of stable nanoparticle-polymer clusters obtained by electrostatic complexation. The nanoparticles placed under scrutiny are nanoceria (CeO2) coated by short poly(acrylic acid) moieties, whereas the polymers are…
In non-relativistic Brueckner calculations of nuclear matter, the self-consistent single particle potential is strongly momentum dependent. To simplify the calculations, a parabolic approximation is often used in the literature. The…
Electrostatically charged aerosol nanoparticles strongly attract surrounding polar gas molecules due to a charge-dipole interaction. In humid air, the substantial electrostatic attraction and acceleration of surrounding water vapour…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
The work is dedicated to the development of the electron-lattice energy exchange theory in metal particles and it dependence of on particle size and electron temperature. We obtained the expressions for the constants of the electron-lattice…
We report an experimental study of 2D dipole clusters formed by small magnetic particles floating at the air-water interface. The particles form hexagonally ordered clusters due to interplay between dipole-dipole repulsion and confining…
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework…