Narrow Results

Basing on the Schiff effective interionic potential that has an oscillatory character and the correlative method of unsymmetrized self-consistent field (CUSF) that enables one to take into account the strong anharmonicity of the crystal lattice vibrations, we have calculated a complete set of equilibrium thermodynamic properties of solid sodium as functions of pressure and temperature: the lattice parameter, the elastic moduli, the thermal expansion coefficient, the Grüneisen parameter and the isochoric and isobaric heat capacities. Our results are compared with available experimental data. We also discuss the thermodynamic stability of the BCC lattice, the mechanism of its loss and its change under pressure.

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The emission of visible light is observed from the metallic quantum well system Na on Cu(111) when electrons tunnel from the tip of a scanning tunnelling microscope to an unoccupied state of the sample. Spectral analysis of the emission along with tunnelling spectroscopy is used to show that the emission is comprised of two components. A sharp spectral feature is found to be due to an interband transition between quantum well states of the Na layer. The other component is similar to plasmon-mediated emission observed previously from clean metal surfaces. The results suggest that light emission is a unique local probe of the electronic structure of quantum well systems.

Equilibrium peptide conformations in solution, especially in the presence of salts, has been of interest for several decades. The fundamental interactions that determine the dominant peptide conformations in solution have been experimentally and computationally probed; however, a unified understanding has not yet emerged. In a previous study, we performed metadynamics simulations on the heptapeptide AEAAAEA in Sodium Chloride (NaCl) and Potassium Chloride (KCl) solutions at concentrations ranging from 0.5–2.0 M. Using a three-dimensional collective variable coordinate system, we computed the free energy landscapes in each saline environment as well as in pure water. We found that the presence of Na⁺ and K⁺ ions induces some changes in the stability of the conformers that define the state space, but does not alter the overall energetics between conformers and does not favor helical conformations. We investigate here, how the presence of salts (NaCl and KCl) affects the glutamic–glutamic interaction and its consequences on the stability of each equilibrium conformation. We perform this study through fixed backbone simulations for the most populated conformations identified in our previous work: the α-helix, 3₁₀-helix, π-helix, the extended polyproline II (PPII) and 2.5₁-helix conformations. It was found that for each conformation, there exists stable substates determined by the glutamic acid side-chains distance and orientation, and that Na⁺ and K⁺ cations (de)stabilize preferentially each conformation. It was also found that intramolecular single water mediated hydrogen bonds play a crucial role in the observed (de) stabilization of each equilibrium conformation.

A novel low cost Na${}^{+}$/Li${}^{+}$ hybrid electrolyte was proposed for hybrid supercapacitor. By partly substituting Lithium salt with Sodium salt, the Li${}^{+}$/Na${}^{+}$ hybrid electrolyte exhibits synergic advantages of both Li${}^{+}$ and Na${}^{+}$ electrolytes. Our findings could also be applied to other hybrid power sources.

The demand for electrical energy storage (EES) is ever increasing in order to develop better batteries. NASICON-structured Na ion conductor represents a class of solid electrolytes, which is of great interest due to its superior ionic conductivity and stable structures. They are widely employed in all-solid-state ion batteries, all-solid-state air batteries, and hybrid batteries. In this review, their structure, composition, properties, and applications for next generation energy storage are reviewed.