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Related Concept Videos

Theory of Strong Electrolytes01:23

Theory of Strong Electrolytes

The interionic forces of the strong electrolytes depend on the solvent's dielectric constant, which is the ability of a solvent to store electrical energy, based on its polarizability. and the solution's concentration. In high-dielectric solvents and in dilute solutions, weak electrostatic forces keep ions apart. However, in low-dielectric solvents or concentrated solutions, stronger interionic forces may cause ions to pair up as ionic doublets despite being fully ionized. The theory of strong...
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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...
Weak Acid Solutions04:02

Weak Acid Solutions

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...
Ionic Association01:28

Ionic Association

The ionic association is the association of oppositely charged ions in an electrolyte solution to form ion pairs. Bjerrum defined ion pairs as two oppositely charged ions whose electrostatic attraction exceeds the thermal energy of the system, typically expressed as 2kT. Electrostatic attraction depends on ionic charge, separation distance, and the dielectric constant of the medium. Thermal energy, represented by kT, reflects the tendency of ions to move independently due to molecular motion.
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

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.
Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

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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Related Experiment Video

Updated: May 9, 2026

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
05:33

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

Published on: August 12, 2013

Novel fast Li-ion conductors for solid-state electrolytes from first-principles.

Tushar Singh Thakur1, Loris Ercole1, Nicola Marzari1,2,3

  • 1Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne 1015 Lausanne Switzerland tushar.thakur@epfl.ch.

Energy & Environmental Science
|May 8, 2026
PubMed
Summary

We screened over 30,000 lithium-containing structures to find fast lithium-ion conductors for solid-state electrolytes. The study identified new promising materials, including Li7NbO6, with high ionic conductivity.

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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques

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Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing
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Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing

Published on: March 7, 2018

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Last Updated: May 9, 2026

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications

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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
10:03

Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques

Published on: November 11, 2013

Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing
10:58

Focused Ion Beam Fabrication of LiPON-based Solid-state Lithium-ion Nanobatteries for In Situ Testing

Published on: March 7, 2018

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Solid-State Chemistry

Background:

  • All-solid-state electrolytes are crucial for next-generation batteries.
  • Identifying fast lithium-ion conductors is key to their practical application.
  • High-throughput computational screening offers an efficient approach to discover novel materials.

Purpose of the Study:

  • To perform a high-throughput computational screening for fast lithium-ion conductors.
  • To identify promising candidate materials for all-solid-state electrolytes.
  • To develop and refine a computational protocol for material discovery.

Main Methods:

  • Sourced over 30,000 Li-containing experimental structures from multiple databases.
  • Employed automated calculations to identify electronic insulators.
  • Utilized molecular dynamics simulations with the pinball model for diffusivity estimation.
  • Validated promising candidates with first-principles molecular dynamics simulations.

Main Results:

  • Identified approximately 1000 electronic insulators from the initial dataset.
  • Estimated Li-ion diffusivities for ~1000 structures using the fast pinball model.
  • Selected ~60 promising fast conductors for further investigation.
  • Detailed analysis of 9 fastest conductors, including Li7NbO6 with ~5 mS cm-1 ionic conductivity at room temperature.

Conclusions:

  • The high-throughput screening protocol successfully identified novel fast lithium-ion conductors.
  • Li7NbO6 emerges as a highly promising material for solid-state electrolytes.
  • The developed computational workflow accelerates the discovery of advanced battery materials.