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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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Las fallas de apilamiento ayudan a la conducción de iones de litio en un conductor superiónico basado en haluros

Elias Sebti1,2, Hayden A Evans3, Hengning Chen4

  • 1Materials Department, University of California, Santa Barbara, California 93106, United States.

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|March 24, 2022
PubMed
Resumen

Los investigadores encontraron que el control de las fallas de apilamiento en los electrolitos sólidos de cloruro de litio (Li3YCl6) mejora la conductividad de iones de litio (Li +). Este ajuste de defectos ofrece un método simple para mejorar el rendimiento de la batería de estado sólido.

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Área de la Ciencia:

  • Ciencias de los materiales
  • Química del estado sólido
  • La electroquímica

Sus antecedentes:

  • Los electrolitos sólidos de haluro son cruciales para el desarrollo de baterías de estado sólido de alta densidad de energía.
  • Los métodos de síntesis influyen significativamente en el trastorno catiónico y la movilidad de iones de litio (Li +) en estos materiales.
  • Comprender las estructuras de defectos es clave para optimizar la conductividad iónica.

Objetivo del estudio:

  • Investigar el papel de las fallas de apilamiento en el cloruro de litio yttrio (Li3YCl6), conductor superiónico.
  • Demostrar un método para controlar la conductividad de Li+ ajustando la concentración de los defectos.
  • Proporcionar información sobre la conducción de Li+ habilitada por defectos en electrolitos sólidos halogenados.

Principales métodos:

  • Se utilizó la difracción de rayos X de sincrotrón y la difracción de neutrones a temperatura variable.
  • Se empleó microscopía electrónica de transmisión criogénica y resonancia magnética nuclear en estado sólido (RMN).
  • Teoría funcional de densidad aplicada y espectroscopia de impedancia electroquímica.

Principales resultados:

  • Se identificó una alta concentración de fallas de apilamiento en Li3YCl6, que influyen en la conductividad de Li+.
  • Se ha demostrado que la concentración del defecto de afinación mediante síntesis y tratamientos térmicos (hasta 60 °C) modula la conductividad de Li+.
  • Mostró la RMN de estado sólido 89Y como una herramienta para contrastar el trastorno del sitio de catión Y.

Conclusiones:

  • El control de la concentración del defecto plano es una estrategia viable para ajustar la conductividad de Li+ en Li3YCl6.
  • La ingeniería de defectos ofrece una vía simple para mejorar el rendimiento en electrolitos sólidos halogenados.
  • Los resultados son generalizables a otros candidatos de electrolitos sólidos halogenados para conductores de iones de litio mejorados.