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Recently, we report the direct observation, under ambient conditions, of Na2Cl and Na3Cl as two-dimensional (2D) Na-Cl crystals, together with regular NaCl, on reduced graphene oxide membranes and on the surfaces of natural graphite powders…

Sodium chloride (NaCl), or rocksalt, is well characterized at ambient pressure. Due to the large electronegativity difference between Na and Cl atoms, it has highly ionic chemical bonding, with stoichiometry 1:1 dictated by charge balance,…

At ambient pressure, sodium, chlorine, and their only known compound NaCl, have well-understood crystal structures and chemical bonding. Sodium is a nearly-free-electron metal with the bcc structure. Chlorine is a molecular crystal,…

Alkali halide crystals doped with certain impurity ions show a low temperature behaviour, which differs significantly from that of pure crystals. The origin of these characteristic differences are tunneling centers formed by atomic or…

Disordered Systems and Neural Networks · Physics 2009-11-07 M. Thesen , R. Kühn , C. Enss , S. Ludwig

The fundamental understanding of crystallization, in terms of microscopic kinetic and thermodynamic details, remains a key challenge in the physical sciences. Here, by using in situ graphene liquid cell transmission electron microscopy, we…

Life on Earth depends upon the dissolution of ionic salts in water, particularly NaCl. However, an atomistic scale understanding of the process remains elusive. Simulations lend themselves conveniently to studying dissolution since they…

Chemical Physics · Physics 2022-11-09 Niamh O'Neill , Christoph Schran , Stephen J. Cox , Angelos Michaelides

Recently we have reported the direct observation of two-dimensional (2D) Ca-Cl crystals on reduced graphene oxide (rGO) membranes, in which the calcium ions are only about monovalent (i.e. ~+1) and metallic rather than insulating properties…

Compounds harboring active valence electrons, such as unconventional stoichiometric compounds of main group elements including sodium, chlorine, and carbon, have conventionally been perceived as unstable under ambient conditions, requiring…

Chemical Physics · Physics 2024-08-09 Liuhua Mu , Xuchang Su , Haiping Fang , Lei Zhang

A drop of aqueous potato starch gel with a certain mole fraction of NaCl, when dried on a glass slide, exhibits strong segregation and intricate pattern formation phenomena. The salt forms radial dendritic crystalline aggregates near the…

Soft Condensed Matter · Physics 2012-04-03 Moutushi Dutta Choudhury , Sayanee Jana , Sruti Dutta , Sujata Tarafdar

X-ray diffraction and Raman scattering measurements, and first-principles calculations are performed to search for the formation of NaCl-hydrogen compound. When NaCl and H$_{2}$ mixture is laser-heated to above 1500 K at pressures exceeding…

Molecular dynamics simulations of aqueous NaCl, KCl, NaI, and KI solutions are used to study the effects of salts on the properties of the liquid/vapor interface. The simulations use the models which include both charge transfer and…

Soft Condensed Matter · Physics 2016-03-24 J. D. Smith , S. W. Rick

Sodium chloride (NaCl), a ubiquitous and chemically stable compound, has been considered inert under ambient conditions. Its typical B1 structure is highly isotropic without preferential direction, favoring the growth of a three-dimensional…

Materials Science · Physics 2025-01-24 Ping Ning , Yifan Tian , Guangtao Liu , Hongbo Wang , Qingyang Hu , Hanyu Liu , Mi Zhou , Yanming Ma

The identification of new materials with superconducting properties is the pursuit in the realm of superconductivity research. Here, excitedly, we show that the simplest salt daily used can be made a superconductor at normal pressure only…

In this study, molecular dynamic simulations are employed to investigate the nucleation of NaCl crystal in solutions. According to the simulations, the dissolved behaviors of NaCl in water are dependent on ion concentrations. With…

Chemical Physics · Physics 2018-11-29 Qiang Sun

In this work, we use large-scale molecular dynamics simulations coupled to free energy calculations to identify for the first time a limit of stability (spinodal) and a change in the nucleation mechanism in aqueous NaCl solutions. This is a…

Chemical Physics · Physics 2019-05-01 Hao Jiang , Pablo G. Debenedetti , Athanassios Z. Panagiotopoulos

NaCl crystal nucleation from metastable solutions has long been considered to occur according to a single-step mechanism. Recent experimental observations suggest that NaCl crystals emerge from disordered intermediates which is seemingly at…

Materials Science · Physics 2022-10-12 Aaron R. Finney , Matteo Salvalaglio

We investigated isolated sodium/chloride aqueous droplets at the microscopic level, which comprise from about 5k to 1M water molecules and whose salt concentrations are 0.2$m$ (brackish water) and 0.6$m$ (sea water), by means of molecular…

Chemical Physics · Physics 2022-06-02 Valérie Vallet , Jonathan Coles , Florent Réal , Céline Houriez , Michel Masella

We study the response of materials with nanoscale pores containing sodium chloride solutions, to cycles of relative humidity (RH). Compared to pure fluids, we show that these sorption isotherms display much wider hysteresis, with a shape…

Soft Condensed Matter · Physics 2025-11-03 Hugo Bellezza , Marine Poizat , Olivier Vincent

Transient Grating experiments performed on supercooled LiCl, RH2O solutions with R>6 reveal the existence of a strong, short time, extra signal which superposes to the normal signal observed for the R=6 solution and other glass forming…

Materials Science · Physics 2015-06-15 L. E. Bove , C. Dreyfus , R. Torre , R. M. Pick

The high temperature surface properties of alkali halide crystals are very unusual. Through molecular dynamics simulations based on Tosi-Fumi potentials, we predict that crystalline NaCl(100) should remain stable without any precursor…

Materials Science · Physics 2007-05-23 T. Zykova-Timan , U. Tartaglino , D. Ceresoli , E. Tosatti
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