Related papers: Singular electrostatic energy of nanoparticle clus…
We investigate the electrostatics of a partially formed, charged spherical shell in a salt solution. We solve the problem numerically at the Poisson-Boltzmann level and analytically in the Debye-Huckel regime. From the results on energetics…
We analytically examine the pair interaction for parallel, discrete helices of charge. Symmetry arguments allow for the energy to be decomposed into a sum of terms, each of which has an intuitive geometric interpretation. Truncated Fourier…
The binding energies of the ground states and several excited states related to single-particle and -hole states in nuclei around ^{16}O are calculated taking charge dependence into account. Effective interactions on the particle basis are…
Electrostatic interactions play an important role in numerous self-assembly phenomena, including colloidal aggregation. Although colloids typically have a dielectric constant that differs from the surrounding solvent, the effective…
$0s$-orbit $\Lambda$ states in $p$-shell double-$\Lambda$ hypernuclei ($^{\ \,A}_{\Lambda\Lambda}Z$), $^{\ \,8}_{\Lambda\Lambda}\textrm{Li}$, $^{\ \,9}_{\Lambda\Lambda}\textrm{Li}$, $^{10,11,12}_{\ \ \ \ \ \Lambda\Lambda}\textrm{Be}$,…
Results of a theoretical study of the electronic properties of (Si)Ge and (Ge)Si core/shell nanoparticles, homogeneous SiGe clusters, and Ge$|$Si clusters with an interphase separating the Si and Ge atoms are presented. In general, (Si)Ge…
We report on the formation and the structural properties of supermicellar aggregates also called electrostatic complexes, made from mineral nanoparticles and polyelectrolyte-neutral block copolymers in aqueous solutions. The mineral…
The crystallization of proteins or colloids is often hindered by the appearance of aggregates of low fractal dimension called gels. Here we study the effect of electrostatics upon crystal and gel formation using an analytic model of hard…
The processes of storage and dissipation of electromagnetic energy in nanostructures depend on both the material properties and the geometry. In this paper, the distributions of local energy density and power dissipation in nanogratings are…
We present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on an equal footing and includes up to simultaneous…
We investigate the properties of rigid polyelectrolyte solutions in presence of monovalent salt. The free energy within the Debye-H\"uckel-Bjerrum (DHBj) theory [M. E. Fisher and Y. Levin, {\it Phys. Rev. Lett.} 71, 3826 (1993)] is…
Manipulating the way in which colloidal particles self-organise is a central challenge in the design of functional soft materials. Meeting this challenge requires the use of building blocks that interact with one another in a highly…
We theoretically study the size effect of water molecule clusters not only on electrostatic interaction between two charged surfaces in an aqueous electrolyte but also on electroosmotic transport in a nanofluidic channel. Applying a free…
The accurate characterization of electrical double layer properties of nanoparticles is of fundamental importance for optimizing their physicochemical properties for specific biotechnological and biomedical applications. In this article, we…
Influence of surrounding matter on the properties of clusters is considered by an approach combining the methods of statistical and quantum mechanics. A cluster is treated as a bound N-particle system and surrounding matter as thermostat.…
We study helical structures in spin-spiral single crystals. In the continuum approach for the helicity potential energy the simple electronic band splits into two non-parabolic bands. For the Fermi energy greater than the splitting between…
With nanoelectronics reaching the limit of atom-sized devices, it has become critical to examine how irregularities in the local environment can affect device functionality. Here, we characterize the influence of charged atomic species on…
We present a critical theoretical study of electronic properties of silicon nanoclusters, in particular the roles played by symmetry, relaxation, and hydrogen passivation on the the stability, the gap states and the energy gap of the system…
It has previously been proven that finding the globally minimum energy configuration of an atomic cluster belongs in the class of NP-hard problems. However, this proof is limited only to homonuclear clusters. This paper presents a new proof…
High-performance materials rely on small reorganization energies to facilitate both charge separation and charge transport. Here, we performed DFT calculations to predict small reorganization energies of rectangular silicene nanoclusters…