Black phosphorus intercalation compounds (BPICs) with alkali metals (namely: K and Na) have been synthesized in bulk by solid-state as well as vapor-phase reactions. By means of a combination of in situ X-ray diffraction, Raman spectroscopy, and DFT calculations the structural behavior of the BPICs at different intercalation stages has been demonstrated for the first time. Our results provide a...

The partial occupation numbers and density of states (DOS), and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linearmuffin-tin-orbital (LMTO) method. By means of the abrupt changes obtained in the partial and total DOS values at the Fermi level, good agreement with regard to experiment were found in predicting ...

The novel amphiphilic benzodithia-18-crown-6 butadienyl dye (1) forms relatively stable insoluble monolayers on distilled water (collapse pressure of 41 mN/m) and on aqueous subphases containing alkali metal or heavy metal salts (collapse pressures in the range of 27-38 mN/m, respectively). The dye 1 monolayer organization depends on chromophore association and interactions (especially complex ...

Nano-assisted inclusion separation of alkali metals from basic solutions was reported by inclusion-facilitated emulsion liquid membrane process. The novelty of this study is application of nano-baskets of calixcrown in the selective and efficient separation of alkali metals as both the carrier and the surfactant. For this aim, four derivatives of diacid calix[4]-1,2-crowns were synthesized, and...

In the present paper, inter-atomic pair potentials in alkali–metals and IB group metals, in crystal state and diatomic system, respectively, are systematically calculated by means of electronic density functional theory with several exchange-correlation (EC) functional approximations. In the absence of experimental potential function information, experimentally available bonding length and bind...

Recycled oceanic crust, with or without sediment, is often invoked as a source component of continental and oceanic alkaline magmas to account for their trace-element and isotopic characteristics. Alternatively, these features have been attributed to sources containing veined, metasomatized lithosphere. In melting experiments on natural amphibole-rich veins at 1.5 gigapascals, we found that par...

On the basis of literature values of various spectroscopic quantities, the "experimental" five derivatives (1st to 5th) of the repulsive functions at the equilibrium distance were evaluated for the 20 alkali halide molecules, retaining the truncated Rittner model for the attractive forces. A self-consistency test showed that the used experimental values are reliable. Different analytical forms ...

We show how to obtain the critical compressibility factor Z(c) for simple and associative Lennard-Jones fluids using the critical characteristics of the Ising model on different lattices. The results show that low values of critical compressibility factor are correlated with the associative properties of fluids in critical region and can be obtained on the basis of the results for the Ising mod...

In this Account strategies using zeolites as media to achieve chiral induction are presented. Diastereomeric excesses as high as 90% and enantiomeric excesses up to 78% have been obtained with selected systems within zeolites. The same systems show no asymmetric induction in solution. Chiral induction is dependent on the alkali ions present in the zeolites. Alkali ions control not only the exte...