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Related Concept Videos

Weak Acid Solutions04:02

Weak Acid Solutions

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Few compounds act as strong acids. A far greater number of compounds behave as weak acids and only partially react with water, leaving a large majority of dissolved molecules in their original form and generating a relatively small amount of hydronium ions. Weak acids are commonly encountered in nature, being the substances partly responsible for the tangy taste of citrus fruits, the stinging sensation of insect bites, and the unpleasant smells associated with body odor. A familiar example of a...
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Trends in Lattice Energy: Ion Size and Charge02:54

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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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Failure Analysis of Batteries Using Synchrotron-based Hard X-ray Microtomography
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Visualizing lithium-ion migration pathways in battery materials.

Mette Ø Filsø1, Michael J Turner, Gerald V Gibbs

  • 1Center for Materials Crystallography, Department of Inorganic Chemistry and iNANO, Aarhus University, 8000 Aarhus C (Denmark).

Chemistry (Weinheim an Der Bergstrasse, Germany)
|October 15, 2013
PubMed
Summary
This summary is machine-generated.

Procrystal calculations offer a fast method to map lithium-ion migration pathways in battery materials. This approach aids in discovering new materials with enhanced ionic conductivity for improved battery performance.

Keywords:
conducting materialsion-migration mechanismslithiummaterials scienceprocrystal analysis

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • Understanding lithium-ion migration is key for developing advanced battery materials.
  • Current methods for predicting ion conductivity can be time-consuming.

Purpose of the Study:

  • Introduce procrystal calculations as an efficient tool for mapping lithium-ion migration pathways.
  • Evaluate the method's effectiveness across various lithium-containing materials.

Main Methods:

  • Application of procrystal calculations to map migration pathways.
  • Comparison of results with experimental data, theoretical studies, and the bond valence site energy approach.

Main Results:

  • Procrystal calculations provide a strong qualitative visualization of migration pathways.
  • The method offers a quantitative measure of electron-density thresholds correlated with activation energies.

Conclusions:

  • Procrystal calculations are a valuable tool for identifying potential battery materials with high ionic conductivity.
  • This method can accelerate the discovery of novel battery materials by reducing investigation time.