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Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

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Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
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Electrolyte and Nonelectrolyte Solutions02:21

Electrolyte and Nonelectrolyte Solutions

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Substances that undergo either a physical or a chemical change in solution to yield ions that can conduct electricity are called electrolytes. If a substance yields ions in solution, that is, if the compound undergoes 100% dissociation, then the substance is a strong electrolyte. Complete dissociation is indicated by a single forward arrow. For example, water-soluble ionic compounds like sodium chloride dissociate into sodium cations and chloride anions in aqueous solution.
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Ionic Strength: Effects on Chemical Equilibria01:19

Ionic Strength: Effects on Chemical Equilibria

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The addition of an inert ionic compound increases the solubility of a sparingly soluble salt. For example, adding potassium nitrate to a saturated solution of calcium sulfate significantly enhances the solubility of calcium sulfate. Le Châtelier's principle cannot predict this shift in the equilibrium. Instead, this could be explained in terms of changes in the effective concentration of the ions in solution in the presence of added inert salt.
In this solution, the primary...
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Ionic Crystal Structures02:42

Ionic Crystal Structures

14.3K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Novel Solid-State Electrolyte Na3La5Cl18 with High Stability and Fast Ionic Conduction.

Syed Jawad Hussain1, Jiahui Liu1, Peng-Hu Du1

  • 1School of Materials Science and Engineering, CAPT, Peking University, Beijing 100871, China.

ACS Applied Materials & Interfaces
|March 5, 2024
PubMed
Summary

Researchers investigated a LaCl3-based material for sodium-ion batteries. The new compound, Na3La5Cl18, shows excellent stability and high sodium-ion conductivity, making it promising for next-generation energy storage.

Keywords:
AIMDhalide materialsinterface stabilityionic conductivitymigration barriersimulationsodium-ion batteriessolid-state electrolyte

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Electrochemistry

Background:

  • Recent synthesis of LaCl3-based lithium superionic conductors inspired further research.
  • Exploration of LaCl3-based materials for sodium superionic conductors is an emerging area.

Purpose of the Study:

  • To investigate the potential of a LaCl3-based system as a sodium superionic conductor.
  • To evaluate the properties and stability of a novel sodium superionic conductor.

Main Methods:

  • Density functional theory (DFT) calculations.
  • Molecular dynamics (MD) simulations.
  • Grand potential phase diagram analysis.

Main Results:

  • Identified Na3La5Cl18 as a stable compound with low energy-above-hull (18 meV/atom).
  • Achieved high Na+ conductivity (1.3 mS/cm at 300 K) and a wide electrochemical window (0.41-3.76 V).
  • Demonstrated high chemical interface stability with various high-potential sodium cathode materials.

Conclusions:

  • LaCl3-based frameworks are suitable building blocks for both lithium-ion and sodium-ion batteries.
  • Na3La5Cl18 is a promising candidate for solid-state sodium-ion battery electrolytes.
  • This study expands the design principles for solid superionic conductors.