Molecular dynamics simulations of supercritical electrolyte solutions with three different ion–water models are performed to study the anion–cation potential of mean force of an infinitely dilute aqueous NaCl solution in the vicinity of the solvent’s critical point. The association constant for the ion pair Na/Cl and the constant of equilibrium between the solvent-separated and the contact ion ...

Small cation size along with removal of trace iron from the electrolyte solution enables practical use earth-abundant nickel oxide electrodes for selective oxidation organic molecules over water in aqueous solutions.

The recent demonstration of enhanced surface anion concentrations for aqueous electrolyte solutions strongly contrasts current textbook descriptions. Small cations are still expected to be repelled from the surface, but recent simulations predict that hydronium (H3O+) cations are instead preferentially adsorbed at the interface. Here we describe a comparative second harmonic generation (SHG) st...

The apparent molar compressibilities φK of aqueous 3-1 electrolyte solutions have been determined from ultrasound velocity and density measurements at 20 C. The values of φK have been extrapolated to infinite dilution, and the total hydration numbers Zo for investigated solutions were estimated from the data φK. A correlation between the hydration and the atomic number of elements of the Period...

We report a novel approach to the fabrication of self-aligned nanoscale trench structures in a thin polymer layer covering on conductive materials. By passing AC current through a polymer-coated nanowire in the presence of an appropriate solvent, a self-aligned nanotrench is formed in the polymer overlayer as a result of accelerated dissolution while the rest of the device remains covered. Simi...

Aqueous supercapacitors (SCs) are highly desirable as the next generation of energy storage devices, holding promise being environmentally friendly and free safety concerns. However, their low water-splitting voltage prevents practical applications. Here, we utilize a dielectric-polymer-coated, hierarchically structured carbon electrode to prepare dielectric-electrolyte SC (DESC), which exhibit...

Accurate modeling of thermodynamic properties for CO2 absorption in aqueous alkanolamine solutions is essential for the simulation and design of such CO2 capture processes. In this study, we use the Electrolyte Nonrandom Two-Liquid activity coefficient model to develop a rigorous and thermodynamically consistent representation for the MDEA-H2O-CO2 system. The vapor-liquid equilibrium (VLE), hea...

Reducing the high charge potential is a crucial concern in advancing the performance of lithium-oxygen batteries. Here, for water-containing lithium-oxygen batteries with lithium hydroxide products, we find that a hydrogen peroxide aqueous solution added in the electrolyte can effectively promote the decomposition of lithium hydroxide compounds at the ultralow charge potential on a catalyst-fre...

A comprehensive model has been developed for calculating the viscosity of aqueous or mixed-solvent electrolyte systems ranging from dilute solutions to fused salts. The model incorporates a mixing rule for calculating the viscosity of solvent mixtures and a method for predicting the effect of finite electrolyte concentrations. The mixing rule represents the viscosity of multi-component solvent ...