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Related Concept Videos

Ionic Crystal Structures02:42

Ionic Crystal Structures

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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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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. 
42.7K
Formation of Complex Ions03:45

Formation of Complex Ions

24.1K
A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
24.1K
Ionic Strength: Effects on Chemical Equilibria01:19

Ionic Strength: Effects on Chemical Equilibria

1.8K
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...
1.8K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

44.9K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
44.9K
Ionic Strength: Overview01:12

Ionic Strength: Overview

1.9K
The ionic strength of a solution is a quantitative way of expressing the total electrolyte concentration of a solution. This concept was first introduced in 1921 by two American physical chemists, Gilbert N. Lewis and Merle Randall, while describing the activity coefficient of strong electrolytes. During the calculation of ionic strength (I or μ), all the cations and anions are considered. However, the concentration (c) of an ion with a greater charge number (z) has a greater contribution...
1.9K

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Updated: Sep 24, 2025

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries
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In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries

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Structural complexities and sodium-ion diffusion in the intercalates Na TiS2: move it, change it, re-diffract it.

Dennis Wiedemann1, Emmanuelle Suard2, Martin Lerch1

  • 1Technische Universität Berlin, Institut für Chemie 10623 Berlin Germany dennis.wiedemann@chem.tu-berlin.de.

RSC Advances
|May 9, 2022
PubMed
Summary

This study revises the crystal structure of sodium titanium disulfides (NaxTiS2) and reveals a honeycomb-like sodium-ion diffusion pathway. These findings offer crucial insights into sodium-ion migration barriers for battery material applications.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Electrochemistry

Background:

  • Sodium titanium disulfides (NaxTiS2) have been overlooked as battery materials despite their potential.
  • Limited understanding exists regarding their crystal structure and sodium-ion diffusion mechanisms.

Purpose of the Study:

  • To synthesize and characterize a new polytype of sodium titanium disulfide, Na0.5TiS2-3R1.
  • To elucidate the crystal structure and sodium-ion diffusion pathways in NaxTiS2 materials.

Main Methods:

  • High-temperature X-ray and neutron diffractometry.
  • Maximum-entropy method for scattering-length density reconstruction.
  • One-particle potential calculations.

Main Results:

  • A revised crystal structure for Na0.5TiS2-3R1, including missed inversion symmetry.
  • Identification of a honeycomb-like sodium-ion conduction pathway with linear diffusion routes.
  • Low activation barriers (approx. 0.1 eV) for sodium-ion migration.

Conclusions:

  • The study clarifies structural complexities in NaxTiS2 arising from layer stacking and Na-Ti ordering.
  • Provides the first experimental data on sodium-ion migration pathways and barriers in these materials.