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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.
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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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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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Metallic Solids02:37

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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
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Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor.

Elias Sebti1,2, Hayden A Evans3, Hengning Chen4

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Researchers found that controlling stacking faults in lithium chloride (Li3YCl6) solid electrolytes improves lithium-ion (Li+) conductivity. This defect tuning offers a simple method for enhancing solid-state battery performance.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Electrochemistry

Background:

  • Halide solid electrolytes are crucial for developing high-energy-density solid-state batteries.
  • Synthesis methods significantly influence cation disorder and lithium-ion (Li+) mobility in these materials.
  • Understanding defect structures is key to optimizing ionic conductivity.

Purpose of the Study:

  • To investigate the role of stacking faults in the superionic conductor lithium yttrium chloride (Li3YCl6).
  • To demonstrate a method for controlling Li+ conductivity by tuning defect concentration.
  • To provide insights into defect-enabled Li+ conduction in halide solid electrolytes.

Main Methods:

  • Utilized variable temperature synchrotron X-ray diffraction and neutron diffraction.
  • Employed cryogenic transmission electron microscopy and solid-state nuclear magnetic resonance (NMR).
  • Applied density functional theory and electrochemical impedance spectroscopy.

Main Results:

  • Identified a high concentration of stacking faults in Li3YCl6, influencing Li+ conductivity.
  • Demonstrated that tuning defect concentration via synthesis and heat treatments (as low as 60 °C) modulates Li+ conductivity.
  • Showcased 89Y solid-state NMR as a tool to contrast Y cation site disorder.

Conclusions:

  • Controlling planar defect concentration is a viable strategy for tuning Li+ conductivity in Li3YCl6.
  • Defect engineering offers a simple pathway to enhance performance in halide solid electrolytes.
  • Findings are generalizable to other halide solid electrolyte candidates for improved Li-ion conductors.