Static atomic charges affect key ground-state parameters of quasi-planar boron clusters Bn, n ≤ 20, which serve as building blocks of borophenes and other two-dimensional boron-based materials promising for various advanced applications. Assuming that the outer valence shells partial electron density of the constituent B atoms are shared between them proportionally to their coordination numbers, the static atomic charges in small planar boron clusters in the electrically neutral and positively and negatively singly charged states are estimated to be in the ranges of –0.750e (B70) to +0.535e (B200), –0.500e (B7+, B8+, and B9+) to +0.556e (B17+), and –1.000e (B7–) to +0.512e (B20–), respectively.
We develop a relatively cheap technology of processing a scrap in the form of already used tungsten-containing products (spirals, plates, wires, rods, etc.), as well not conditional tungsten powders. The main stages of the proposed W-scrap recycling method are its dispersing and subsequent dissolution under controlled conditions in hydrogen peroxide aqueous solution resulting in the PTA (PeroxpolyTungstic Acid) formation. The filtered solution, as well as the solid acid obtained by its evaporation, are used to synthesize various tungsten compounds and composites. Good solubility of PTA in water and some other solvents allows preparing homogeneous liquid charges, heat treatment of which yield WC and WC–Co in form of ultradispersed powders. GO (Graphene Oxide) and PTA composite is obtained and its phase transition in vacuum and reducing atmosphere (H2) is studied. By vacuum-thermal exfoliation of GO–PTA composite at 170–500℃ the rGO (reduced GO) and WO2.9 tungsten oxide are obtained, and at 700℃—rGO–WO2 composite. WC, W2C and WC–Co are obtained from PTA at high temperature (900–1000℃). By reducing PTA in a hydrogen atmosphere, metallic tungsten powder is obtained, which was used to obtain sandwich composites with boron carbide B4C, W/B4C, and W/(B4C–W), as neutron shield materials. Composites of sandwich morphology are formed by SPS (Spark-Plasma Sintering) method.
Boron and tungsten carbides, B4C and WC, are hard materials widely used in modern technologies. Further improvement of their performance characteristics involves the development of new B4C and WC-based and/or related composites in a nanodispersed state. This article provides a review of available literature research on B-C-W systems, which would be useful in future studies in this direction.
The semiclassical boron–boron interatomic pair potential is constructed in an integral form allowing its converting into the analytical one. It is an ab initio B–B potential free of any semiempirical adjusting parameters, which would serve as an effective tool for the theoretical characterization of all-boron and boron-rich nanomaterials.
Theoretically, within the diatomic model, the relative stability of most abundant boron clusters B11, B12, and B13 with planar structures in neutral, positive and negative charged-states is studied. According to the specific (per atom) binding energy criterion, B12+ (6.49 eV) is found to be the most stable boron cluster, while B11– + B13+ (5.83 eV) neutral pair is expected to present the preferable ablation channel for boron-rich solids. Obtained results would be applicable in production of boron-clusters-based nanostructured coating materials with super-properties such as lightness, hardness, conductivity, chemical inertness, neutron-absorption, etc., making them especially effective for protection against cracking, wear, corrosion, neutron- and electromagnetic-radiations, etc.
This paper is devoted to the determination of the dispersive component of the surface energy of two boron materials such as h-BN and BPO4 surfaces by using the inverse gas chromatography (IGC) at infinite dilution. The specific interactions and Lewis’s acid-base parameters of these materials were calculated on the light of the new thermal model concerning the dependency of the surface area of organic molecules on the temperature, and by using also the classical methods of the inverse gas chromatography as well as the different molecular models such as Van der Waals, Redlich-Kwong, Kiselev, geometric, Gray, spherical, cylindrical and Hamieh models. It was proved that h-BN surface exhibits higher dispersive surface energy than BPO4 material.
The specific properties of interaction of the two boron materials were determined. The results obtained by using the new thermal model taking into account the effect of the temperature on the surface area of molecules, proved that the classical IGC methods, gave inaccurate values of the specific parameters and Lewis’s acid base constants of the solid surfaces. The use of the thermal model allowed to conclude that h-BN surface has a Lewis basicity twice stronger than its acidity, whereas, BPO4 surface presents an amphoteric character.
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