The self-wetting properties of ionic crystal surfaces are studied, using NaCl(100) as a prototype case. The anomalously large contact angle measured long ago by Mutaftschiev [1,2] is well reproduced by realistic molecular dynamics simulations. Based on these results, and on independent determinations of the liquid-vapor (γ LV) and the solid-vapor interface free energy (γ SV) [3], an estimate of...

The near-spherical AgCl micro-crystals were prepared by an ionic liquids-assisted hydrothermal method. The influence of ionic liquids (C(x)MimCl x = 4, 8, 12, 16) on (001) facet growth of AgCl was studied systemically. The composition of the as-prepared samples was characterized by X-ray diffraction (XRD), thermogravimetric analysis (TGA) and FTIR spectra. The morphological structures were char...

The merger of ionic liquid and liquid crystal fields, obtained by using the imidazolium ring as a common element, has allowed us to tailor a new set of materials which associate specific functionalities. These functionalities are consequences of the original properties of the component, ionic liquids, liquid crystals and their association in a single compound. The study of this interesting asso...

A series of alkyltributylphosphonium chloride ionic liquids, prepared from tributylphosphine and the respective 1-chloroalkane, C(n)H(2n+1)Cl (where n = 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 12 or 14), is reported. This work is a continuation of an extended series of tetraalkylphosphonium ionic liquids, where the focus is on the variability of n and its impact on the physical properties, such as melti...

The chlorine-35 N Q R has been investigated in the mixed-stack charge-transfer complex tetrathiafluvalene-chloranil. The neutral-to-ionic (N-I) phase transit ion is clearly seen on the N Q R spectrum. Among several features of the spectra recorded and their counterpart in the sample behaviour, the evidence for the change in the crystal symmetry and the quite l ikely existence of neutral domains...

A molecular-level understanding of why the addition of lithium salts to Organic Ionic Plastic Crystals (OIPCs) produces excellent ionic conductivity is described for the first time. These materials are promising electrolytes for safe, robust lithium batteries, and have been experimentally characterised in some detail. Here, molecular dynamics simulations demonstrate the effects of lithium ion d...

Herein we report a linear ionic molecule that assembles into supramolecular nano-tunnel structure through synergy of trident-type interactions and ?-? stacking interactions. The crystal exhibits anisotropic guest adsorption behavior. material shows good thermal stability undergoes multi-stage single-crystal-to-single-crystal phase transformations to nonporous on heating. remarkable chemical und...

We report on the ionic conductivity of Li0.33La0.55TiO3 (LLTO) epitaxial films grown on the (100) and (111) surfaces of single crystal SrTiO3 (STO) substrates at different oxygen partial pressures (from 1.33 to 26.66 Pa). The films are intended for use as solid electrolytes for all-solid-state Li-ion batteries, and the epitaxial growth for modeling the electrolyte single crystal properties. The...

The objective of this study was to investigate a technique to obtain inorganic nanoparticle impregnated wood fiber reinforcement in the thermoplastic matrix. Inorganic nanoparticulates as a function of void filler and interfacial compatibilizer were generated through the chemically reconstruction method using two different ionic salts (CaCh to Na2C03). The longer reaction time of two ionic salt...