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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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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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Molecular Orbital Energy Diagrams
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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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Weak Acid Solutions04:02

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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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In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...
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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
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Atomic Structure of the Lithium-Lithium Oxide Interface from First Principles.

Giovanni Orlandi1, Jun Li2, Steven D Kenny2

  • 1School of Mechanical and Automotive Engineering, Clemson University, Clemson, South Carolina 29623, United States.

ACS Applied Materials & Interfaces
|March 28, 2025
PubMed
Summary
This summary is machine-generated.

Solid-state lithium batteries offer higher energy density and safety. This study reveals that bonding interactions at the lithium oxide interface are key to stability, guiding future solid-state battery design.

Keywords:
Li metal anodeinterfacelithiumlithium oxideoxide electrolytessolid-state lithium batteries

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Solid-state Batteries

Background:

  • Lithium-ion batteries (LIBs) face limitations in energy density and safety due to liquid electrolytes.
  • Solid-state lithium batteries (SSLBs) promise enhanced energy density and safety using solid electrolytes.
  • Interactions at the electrolyte-anode interface, like high resistance and dendrite growth, hinder SSLB adoption.

Purpose of the Study:

  • To understand the interface between oxide electrolytes and lithium (Li) metal anodes.
  • To predict the structure and properties governed by the solid electrolyte interphase.
  • To identify strategies for improving interfacial stability in SSLBs.

Main Methods:

  • Computational analysis of interface energies between different orientations of Li and lithium oxide (Li 2 O).
  • Evaluation of bonding interactions and lattice strain at the Li 2 O(110) surface.
  • Comparison of interface stability with different Li crystal structures (FCC vs. BCC).

Main Results:

  • The Li 2 O(110) surface demonstrated the most energetically favorable orientation for the solid electrolyte interphase.
  • Bonding between metallic Li and oxygen atoms on the Li 2 O(110) plane significantly influenced interface stability.
  • Introducing face-centered cubic (FCC) Li between Li 2 O and body-centered cubic (BCC) Li yielded the lowest interface energy.

Conclusions:

  • Optimizing the Li 2 O(110) surface and Li crystal structure is crucial for stable SSLB interfaces.
  • Interfacial bonding, rather than lattice strain, is the dominant factor for stability.
  • These findings provide insights for designing robust solid electrolytes and anodes for high-performance SSLBs.