Related papers: Influence of Ionic strength on calcium carbonate (…
An extended Designed regression analysis of experimental data on density and refractive indices of several classes of ionic liquids yielded statistically averaged atomic volumes and polarizabilities of the constituting atoms. These values…
Ionic Coulomb blockade in nanopores is a phenomenon that shares some similarities but also differences with its electronic counterpart. Here, we investigate extensively this phenomenon using all-atom molecular dynamics of ionic transport…
We investigate the role of carbon nanotubes structure on their optical limiting properties. Samples of different and well-characterized structural features are studied by optical limiting and pump-probe experiments. The influence of the…
The relationship between matrix phase composition and microstructure yielding in phase separated calcium aluminosilicate glasses is investigated. Varying the treatment temperature of a phase separated glass results in glasses with different…
Composition-dependent structural and polar properties of epitaxial short-period CaTiO_3/SrTiO_3/BaTiO_3 superlattices grown on a SrTiO_3 substrate are investigated with first-principles density-functional theory computational techniques.…
The effects of Co2+ doping on the structural, magnetic and dielectric properties of the multiferroic frustrated antiferromagnet Mn3TeO6 have been investigated. Ceramic samples of the solid solution series Mn3-xCoxTeO6 were prepared by a…
The formation of solid calcium carbonate (CaCO3) from aqueous solutions or slurries containing calcium and carbon dioxide (CO2) is a complex process of considerable importance in the ecological, geochemical and biological areas. Moreover,…
Being the polymorphs of calcium carbonate (CaCO3), vaterite and calcite have attracted a great deal of attention as promising biomaterials for drug delivery and tissue engineering applications. Furthermore, they are important biogenic…
Fracture toughness $K_{IC}$ plays an important role in materials design. Along with numerous experimental methods to measure fracture toughness of materials, its understanding and theoretical prediction is very important. However,…
Laser-induced cavitation in liquids originates from optical breakdown processes that depend sensitively on both laser-plasma dynamics and the chemical microenvironment of the solvent. Herein, we experimentally decouple the effects of ionic…
It is shown how the combination of atomic deposition and nonlinear diffusion may lead, below a critical temperature, to the growth of nonuniform layers on a substrate. The dynamics of such a system is of the Cahn-Hilliard type, supplemented…
The polymorphism of organic/metal interfaces influences many of their properties. As a result, a host of contemporary research focuses on analyzing the factors which are pertinent for modifying polymorphism. In this work, we elucidate how…
The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic % in the growth…
The influence of Ca substitution on the superconducting properties of polycrystalline R1-xCaxBa2Cu3Oz (R = Eu, Gd, Er; x=0; 0.2; 0.25 and 0.3) samples has been studied by X-ray powder diffraction, ac susceptibility and dc magnetization…
In this work we describe the thermodynamics and mechanism of CO$_2$ polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempered metadynamics and committor analysis. We find that the…
A correlation between the crystal structure and magnetic properties of system (1-x)BiFeO$_3$-(x)BaTiO$_3$ with compounds across the morphotropic phase boundary was studied using X-ray and neutron diffraction, magnetometry, and Mossbauer…
Ruthenates provide comprehensive platform to study a plethora of novel properties, such as quantum magnetism, superconductivity and magnetic fluctuation mediated metal-insulator transition. In this article, we provide an overview of quantum…
Electronic charge delocalization on the molecular backbones of ionic liquid-forming ions substantially impacts their molecular polarizabilities. Density functional theory calculations of polarizabilities and volumes of many cations and…
Inclusion of additives into calcite crystals allows one to embed non-native proprieties into the inorganic matrix and obtain new functional materials. Up to now, few parameters have been taken into account to evaluate the efficiency of…
The recent discovery of superconductivity in infinite-layer nickelate films has aroused great interest since it provides a new platform to explore the mechanism of high-temperature superconductivity. However, superconductivity only appears…