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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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Superionicidad en electrolitos basados en líquidos iónicos inducidos por correlaciones positivas de iones-iones
Pinchas Nürnberg1, Jaschar Atik2, Oleg Borodin3
1University of Muenster, Institute of Physical Chemistry, Corrensstrasse 28/30, 48149 Münster, Germany.
Journal of the American Chemical Society
|March 2, 2022
Resumen
Los investigadores desarrollaron nuevos cationes orgánicos para electrolitos líquidos iónicos, lo que permite correlaciones beneficiosas entre iones para mejorar el transporte de iones de litio en el almacenamiento de energía. Este comportamiento superiónico mejora la conductividad y la movilidad de iones de litio.
Área de la Ciencia:
- La electroquímica
- Ciencias de los materiales
- Química Física
Sus antecedentes:
- Los electrolitos de líquido iónico (IL) se enfrentan a desafíos en el transporte de iones debido a las fuertes correlaciones ion-ion, lo que limita su uso en el almacenamiento de energía.
- El transporte de iones de litio (Li) a menudo se ve obstaculizado por el movimiento dentro de los grupos aniónicos, lo que requiere contrarrestar los flujos de aniones.
Objetivo del estudio:
- Diseñar cationes orgánicos que aprovechen las correlaciones ion-ion en electrolitos IL concentrados para mejorar el transporte de Li.
- Para lograr fenómenos de transporte de iones beneficiosos, denominados comportamiento "superiónico", en electrolitos basados en IL.
Principales métodos:
- Síntesis de cationes orgánicos con cadenas de éter Li-coordinadas.
- Caracterización mediante RMN 1H y espectroscopia de Raman.
- Mediciones de transporte y conductividad.
- Simulaciones de dinámica molecular (DM) para analizar la dinámica de iones y las correlaciones.
Principales resultados:
- Los cationes IL con suficientes oxígenos éteres indujeron la coordinación Li a los cationes orgánicos.
- Se observó una proporción inversa de Haven mayor que 1, lo que indica un comportamiento "superiónico".
- Las simulaciones de MD confirmaron correlaciones de catión Li-IL mejoradas y correlaciones de anión Li invertidas, lo que condujo a movilidades positivas de Li+.
Conclusiones:
- Un nuevo concepto de coordinación de cationes corrige efectivamente las direcciones de deriva de Li perjudiciales en las IL.
- Las fuertes correlaciones iónicas en electrolitos concentrados pueden explotarse beneficiosamente para el transporte superiónico.
- Este enfoque ofrece una nueva estrategia para el diseño de electrolitos avanzados para aplicaciones de almacenamiento de energía.
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