Related papers: Deposition dynamics of Na monomers and dimers on a…
The rise in atmospheric carbon dioxide (CO2) levels has led to urgent calls for effective carbon capture methods, with direct air capture (DAC) emerging as a promising solution. This study focuses on the structural characterization of…
We investigate electrostatic stability of charged droplets, modeled as permeable, charged spheres, and their encapsidation in thin, arbitrarily charged nano-shells, immersed in a neutralizing asymmetric electrolyte background. The latter…
We generalize the conditions for stable electrodeposition at isotropic solid-solid interfaces using a kinetic model which incorporates the effects of stresses and surface tension at the interface. We develop a stability diagram that shows…
The use of energy functionals based on density as the basic variable is advocated for ab initio molecular dynamics. It is demonstrated that the constraint of positivity of density can be incorporated easily by using square root density for…
Although strong modulation of interfacial electron concentrations by the relative acidity of surface additives has been suggested, direct observation of corresponding changes in surface conductivity, crucial for understanding the role of…
We report the electrochemical investigation of 5% Al doped MoS$_2$@rGO composite as a high-performance anode for sodium (Na)-ion batteries. The x-ray diffraction (XRD), Raman spectroscopy and high-resolution transmission electron microscopy…
We investigate the charge transfer characteristics of one and two excess charges in a DNA base-pair dimer using a model Hamiltonian approach. The electron part comprises diagonal and off-diagonal Coulomb matrix elements such a correlated…
We report studies of random sequential adsorption on the pre-patterned Bethe lattice. We consider a partially covered Bethe lattice, on which monomers and dimers deposit competitively. Analytical solutions are obtained and discussed in the…
Heterogeneous catalysts consisting of supported metallic nanoparticles typically derive exceptional catalytic activity from their large proportion of under-coordinated surface sites which promote adsorption of reactant molecules.…
We study formation of the nanowires formed after deposition of Pt on a Ge(001) surface. The nanowires form spontaneously after high temperature annealing. They are thermodynamically stable, only one atom wide and up to a few hundred atoms…
Multi-valent (MV) battery architectures based on pairing a Mg metal anode with a high-voltage ($\sim$ 3 V) intercalation cathode offer a realistic design pathway toward significantly surpassing the energy storage performance of traditional…
Charge dynamics in a dimer Mott insulating system, where a non-polar dimer-Mott (DM) phase and a polar charge-ordered (CO) phase compete with each other, are studied. In particular, collective charge excitations are analyzed in the three…
We study the activated motion of adsorbed polymers which are driven over a structured substrate by a localized point force.Our theory applies to experiments with single polymers using, for example, tips of scanning force microscopes to drag…
We perform molecular dynamic simulations of liquid nanoparticles deposited on a disordered substrate. The motion of the nanoparticle is characterised by a 'stick and roll' diffusive process. Long simulation times ($\simeq \mu s$), analysis…
We introduce an aggregation process that begins with equal concentrations of positively and negatively `charged' monomers. Oppositely charged monomers merge to form neutral dimers. These dimers are the seeds for subsequent aggregation…
Several sensing concepts using nanostructures prepared by focused electron beam induced deposition have been developed over the last years. Following work on highly miniaturized Hall sensors for magnetic sensing with soft magnetic Co,…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
Ceramic solid-state batteries with sodium (Na) metal electrodes promise enhanced safety and energy density compared to contemporary secondary batteries. However, the critical delamination of the Na metal electrode during discharge - when…
The polarization- and angle- resolved optical response of the anapole mode in silicon nano-disks array have been experimentally and theoretically investigated. The good agreement betweenmeasured data and simulations yields to a consistent…
A novel technique to deposit metals on highly conjugated polyaniline films has been developed. In general, electrodeposition of metals, having low reduction potential, from aqueous solution, is difficult due to disruptive effect of hydrogen…