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Solid-ion conductors (SICs) comprising non-ionic plastic crystals and lithium salts often require compositing with polymers to render them processable for use in solid-state lithium-metal batteries. Here, we show that polymer-doped plastic…
Understanding the physical and chemical properties of aqueous interfaces is important in diverse fields of science, ranging from biology and chemistry to materials science. In spite of crucial progress in surface sensitive spectroscopic…
In this work we discuss the use of scaled charges when developing force fields for NaCl in water. We shall develop force fields for Na$^+$ and Cl$^-$ using the following values for the scaled charge (in electron units) : 0.75, 0.80, 0.85,…
We have introduced a new method of estimating the electron temperature and density of H II regions by using single dish observations. In this method, multiple hydrogen radio recombination lines of different bands are computed under the…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and other properties of a model solution consisting of NaCl salt dissolved in water-methanol mixture. The SPC/E water model and the united atom…
RNA duplex stability depends strongly on ionic conditions, and inside cells RNAs are exposed to both monovalent and multivalent ions. Despite recent advances, we do not have general methods to quantitatively account for the effects of…
Nonlinear frequency conversion plays a crucial role in advancing the functionality of next-generation optical systems. Portable metrology references and quantum networks will demand highly efficient second-order nonlinear devices, and the…
In this study, we investigated the thermodynamic features of a system based on oppositely charged polyelectrolytes, sodium alginate, and poly(diallyldimethylammonium chloride) (PDADMAC) at different pH values. Additionally, a comparison of…
This article addresses the much debated question whether the degree of hydrophobicity of single-layer graphene (1LG) is different from the one of double-layer graphene (2LG). Knowledge of the water affinity of graphene and its spatial…
Reported here are results of theoretical calculations on the hexaaquoferric complex and deprotonated products to investigate the molecular mechanisms of hydrolysis of ferric ion in water. The combination of density functional electronic…
Recently, significant progress in the development of III-V/Si dual-junction solar cells has been achieved. This not only boosts the efficiency of Si-based photovoltaic solar cells, but also offers the possibility of highly efficient green…
Interfacial hydration structures are crucial in wide-ranging applications, including battery, colloid, lubrication etc. Multivalent ions like Mg2+ and La3+ show irreplaceable roles in these applications, which are hypothesized due to their…
We report nanosecond time-resolved photoluminescence measurements on the isoelectronic series of oxygen deficient centers in amorphous silica, Si-ODC(II), Ge-ODC(II) and Sn-ODC(II) which are responsible of fluorescence activities at $\sim$4…
The preference of water self-ions (hydronium and hydroxide) towards air/oil-water interfaces is one of the hottest topics in water research due to its importance for understanding properties, phenomena, and reactions of interfaces. In this…
Tip enhanced IR spectra and imaging have been widely used in cutting-edge studies for the in-depth understanding of the composition, structure and function of interfaces at the nanoscale. However, molecular monolayer sensitivity has only…
We present an analysis combining the simultaneous measurement of intergalactic absorption by hydrogen (H I), helium (He II) and oxygen (O VI) in UV and optical quasar spectra. The combination of the H I and He II Lyman-alpha forests through…
Recent experiments and a series of subsequent theoretical studies suggest the occurrence of universal underscreening in highly concentrated electrolyte solutions. We performed a set of systematic Atomic Force Spectroscopy measurements for…
A 1+1 dimensional hydrodynamical model in the light-cone coordinates is used to describe central heavy-ion collisions at ultrarelativistic bombarding energies. Deviations from Bjorken's scaling are taken into account by choosing finite-size…
The hydrogen evolution reaction (HER) in alkaline media suffers from sluggish kinetics but the origin of the pH-dependent activity remains debated. This study investigates the role of hydroxide ions (OH) in enhancing the alkaline HER at…
Second harmonic generation (SHG) with a material of large transparency is an attractive way of generating coherent light sources at exotic wavelength range such as VUV, UV and visible light. It is of critical importance to improve nonlinear…