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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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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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Modeling the Interface between Lithium Metal and Its Native Oxide.

Jeffrey S Lowe, Donald J Siegel

    ACS Applied Materials & Interfaces
    |September 15, 2020
    PubMed
    Summary
    This summary is machine-generated.

    Understanding the native oxide layer on lithium metal anodes is key for next-generation batteries. Amorphous lithium oxide promotes facile ion transport, suggesting its increased presence could enhance battery performance.

    Keywords:
    Li-metal anodeamorphous interfacebatteriesdiffusivityenergy storageoxidation

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    Area of Science:

    • Materials Science
    • Electrochemistry
    • Computational Chemistry

    Background:

    • Lithium metal anodes offer high theoretical capacities for advanced energy storage.
    • Understanding surface phenomena at the lithium/lithium oxide interface is crucial for battery development.
    • Current knowledge gaps hinder the optimization of lithium metal batteries.

    Purpose of the Study:

    • To characterize the native oxide layer on lithium metal anodes using first-principles calculations.
    • To investigate the properties of various lithium/lithium oxide interface models, including chemical termination and atomic ordering.
    • To quantify lithium ion transport through the amorphous oxide layer.

    Main Methods:

    • First-principles calculations to predict interfacial and formation energies.
    • Analysis of interfacial structure, electronic properties (Voronoi charge, binding energies), and work of adhesion.
    • Ab initio molecular dynamics simulations to quantify lithium ion transport.

    Main Results:

    • The amorphous lithium oxide interface exhibits the lowest interfacial formation energy, indicating its stability.
    • An oxygen-terminated crystalline interface shows significantly higher work of adhesion, suggesting strong lithium wetting.
    • Lithium ions demonstrate facile transport through the amorphous lithium oxide layer.

    Conclusions:

    • The amorphous nature of the native oxide layer plays a critical role in lithium metal anode performance.
    • Increasing the proportion of amorphous lithium oxide in the solid electrolyte interphase may improve battery efficiency.
    • This research provides fundamental insights for optimizing high-capacity lithium metal batteries.