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In this communication we report the fluorine ion dynamics in mixed alkali oxyfluro vanadate glasses. We have measured the electrical conductivity using impedance spectroscopy technique Room temperature conductivity falls to 5 orders of…
This study establishes a methanol-mediated room-temperature synthesis approach for tellurium-diol (Te-diol) compounds for use in tellurium-loaded liquid scintillator (Te-LS). The synthesis involves the direct reaction of telluric acid with…
Generating energy functions for heterogeneous systems suitable for quantitative and predictive atomistic simulations is a challenging undertaking. The present work combines a cluster-based approach with electronic structure calculations at…
Despite the organic molecule inventory detected in Orion KL, acetaldehyde (CH3CHO) -- one of the most ubiquitous interstellar aldehydes -- has not been firmly identified with mm-wave interferometry. We analyze extensive ALMA archival…
Gamma - Iron Oxide prepared by sol -gel process was used to produce nanocomposites with polyaniline of varying aniline concentrations. TEM shows the presence of chain like structure for lower polyaniline concentration. The room temperature…
Brine fluids have recently been of high interest to enhanced oil recovery. Mechanisms for such improvement were widely proposed, including wettability alteration and reduction in the oil-brine interfacial tension (IFT), although their…
We study the effects of ions on the reorientation dynamics of liquid water with polarization-resolved femtosecond mid-infared spectroscopy. We probe the anisotropy of the excitation of the O-D stretch vibration of HDO molecules in solutions…
Modulating heterogeneous microstructure in room temperature ionic liquids (RTILs) by external stimuli is an important approach for understanding and designing the external field induced chemical reactions in natural and applicable systems.…
We report significant enhancement in superconducting properties of yttrium substituted Ce1-xYxOFFeAs superconductors. The polycrystalline samples were prepared by two step solid state reaction technique. X-ray diffraction confirmed…
Oxyhydrides represent a new class of functional materials, yet the synthesis of dense polycrystals or single-crystals suitable for transport studies remains a significant challenge due to hydrogen desorption at elevated temperatures. The…
Cyanides, ranging from three carbon atoms to PAHs, and alkenyl compounds are abundant in the interstellar medium (ISM). Aminoacrylonitrile (3-Amino-2-propenenitrile, H$_{2}$N-CH=CH-CN), an alkenyl cyanide, thus represents a promising…
We report that Joule heating can be used to enhance the interfacial spin conductivity between a metal and an oxide. We observe that local annealing of the interface at about 550\,K by injecting large current densities…
Networks of ligand-free semiconductor nanocrystals (NCs) offer a valuable combination of high carrier mobility and optoelectronic properties tunable via quantum confinement. In principle, maximizing carrier mobility entails crossing the…
Using density functional theory (DFT), we analyze the influence of five classes of functional groups, as exemplified by NO2, OCH3, CH3, CCl3, and I, on the transport properties of a 1,4-benzenedithiolate (BDT) and 1,4-benzenediamine (BDA)…
We present NeuralIL, a model for the potential energy of an ionic liquid that accurately reproduces first-principles results with orders-of-magnitude savings in computational cost. Based on a multilayer perceptron and spherical Bessel…
The numerous combinations of cations and anions turn out possible to produce ionic liquids with fine-tuned properties once the correlation with the molecular structure is known. In this sense, computer simulations are useful tools to…
A capacitor consisting of the [bmim][NTf$_2$] ionic liquid (IL) confined in between planar graphite electrodes has been investigated by molecular dynamics based on an all-atom, unpolarizable force field. Despite a few peculiarities due to…
The selective transport of trivalent rare earth metals from aqueous to organic environments with the help of amphiphilic "extractants" is an industrially important process. When the amphiphilic extractant is positively charged or neutral,…
The highly charged RNA molecules, with each phosphate carrying a single negative charge, cannot fold into well-defined architectures with tertiary interactions, in the absence of ions. For ribozymes, divalent cations are known to be more…
Cold gas-phase water has recently been detected in a cold dark cloud, Barnard 5 located in the Perseus complex, by targeting methanol peaks as signposts for ice mantle evaporation. Observed morphology and abundances of methanol and water…