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In view of potential applications of magnetic particles in biomedicine and electromagnetic devices, we made use of the classical Stober method base-catalysed hydrolysis and condensation of tetraethoxysilane (TEOS) to encapsulate FeNi…
In the pursuit of alternative and less invasive medical treatments, magnetic nanoparticles (NPs) have gained significant relevance. Iron carbides NPs stand out for their higher saturation magnetizations compared to iron oxides, while…
A collection of spherical particles can be packed tightly together into an amorphous packing known as "random close packing" (RCP). This structure is of interest as a model for the arrangement of molecules in simple liquids and glasses, as…
In this work, a two dimensional system of polymer grafted nanoparticles is analyzed using large-scale Langevin Dymanics simulations. Effective core-softened potentials were obtained for two cases: one where the polymers are free to rotate…
Context. Among the most significant chemical functional groups of interstellar molecules are the class of nitriles, which are proposed as key prebiotic molecules due to their chemical connection to the peptide bond after hydrolysis. CN…
Nanoporous carbon composite membranes, comprising a layer of porous carbon fiber structures with an average channel width of 30-60 nm grown on a porous ceramic substrate, are found to exhibit robust desalination effect with high freshwater…
Applications of nanoparticles in biology require that the nanoparticles remain stable in solutions containing high concentrations of proteins and salts, as well as in cell culture media. In this work, we developed simple protocols for the…
We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger distances. The phase diagram (obtained…
It is surprisingly difficult to freeze water. Almost all ice that forms under "mild" conditions (temperatures > -40 degrees Celsius) requires the presence of a nucleating agent - a solid particle that facilitates the freezing process - such…
The stability, structure and properties of carbonate minerals at lower mantle conditions has significant impact on our understanding of the global carbon cycle and the composition of the interior of the Earth. In recent years, there has…
Water (H2O) ice is ubiquitous component of the universe, having been detected in a variety of interstellar and Solar System environments where radiation plays an important role in its physico-chemical transformations. Although the radiation…
In this work we performed a detailed analysis on the calculation of 43 critical experiments from 6 experimental series all describing plutonium nitrate in aqueous solution contained in metal spheres. The underlying experimental data is…
The kinetics of water adsorption by a natural zeolite (clinoptilolite) sample has been investigated by high-frequency AC current intensity measurements. According to the achieved kinetic results, cations should play a relevant role in the…
Treating cancer is one of the most challenging task in medical sciences. Only limited types of cancer treatments are available as their study is still ongoing. The earlier therapies like radiotherapy with x-rays, chemotherapy are associated…
We report on a study exploring the design of nanoparticles that can enhance their laser refrigeration efficiency for applications in levitated optomechanics. In particular, we developed lanthanide-doped nanocrystals with an inert shell…
We present a theoretical investigation, based on ab initio calculations and the quasi-harmonic approximation, on the stability properties of magnesium (MgCO$_3$) and calcium (CaCO$_3$) carbonates at high temperatures and pressures. The…
Liquids under confinement differ in behavior from their bulk counterparts and can acquire properties that are specific to the confined phase and linked to the nature and structure of the host matrix. While confined liquid water is not a new…
It is important to understand the origin of molecular line intensities and chemical composition in the molecular-cloud scale in the Galactic sources because it serves as a benchmark to compare with the chemical compositions of extragalactic…
Computing the solubility of crystals in a solvent using atomistic simulations is notoriously challenging due to the complexities and convergence issues associated with free-energy methods, as well as the slow equilibration in…
The design of complex materials and the formation of specific patterns often arise from the properties of the individual building blocks. In this respect, colloidal systems offer a unique opportunity because nowadays they can be synthesized…