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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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Ionic Bonding and Electron Transfer02:48

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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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Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy
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Structural evolution of Si-based anode materials during the lithiation reaction.

Zuozhang Wang1, Feng Li1,2, Wenyu Ding3

  • 1Institute of Rheological Mechanics, Xiangtan University, Hunan 411105, People's Republic of China.

Nanotechnology
|April 21, 2021
PubMed
Summary

This study reveals the structural changes and mechanical properties of silicon-based materials during lithium-ion battery anode reactions. Understanding these transformations is key to developing advanced battery technologies.

Keywords:
Si-based anodefirst-principle calculationlithiation reactionmechanical propertiesstructural evolution

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • Silicon-based materials are promising anodes for lithium-ion batteries.
  • The structural evolution and mechanical behavior during lithiation remain poorly understood.

Purpose of the Study:

  • To investigate the structural parameters and mechanical properties of Si, SiO(x), and SiO2 during lithiation.
  • To elucidate the relationship between lithium content and material properties.

Main Methods:

  • First-principle calculations based on density functional theory (DFT).
  • Systematic calculation of expansion coefficient, elastic constants, modulus, and Poisson's ratio.

Main Results:

  • Detailed analysis of structural changes in Si, SiO(x), and SiO2 during lithiation.
  • Quantification of how lithium incorporation affects mechanical properties.

Conclusions:

  • The study provides fundamental insights into the lithiation mechanisms of silicon-based anodes.
  • Findings contribute to the rational design of next-generation high-performance lithium-ion batteries.