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Conductividad de protones anisotrópicos en MOFs mediados por moléculas de agua: conocimientos experimentales y
Martín Esteves1, Fernando Igoa Saldaña2, Aldana Plátano2
1Área Física y Centro NanoMat, DETEMA, Facultad de Química, Universidad de la República, 11800 Montevideo, Uruguay.
Inorganic chemistry
|September 6, 2025
Resumen
Las nuevas estructuras metal-orgánicas (MOF) muestran una excelente conductividad de protones. Las mediciones de un solo cristal revelan un transporte eficiente de protones a lo largo de los canales de poros, rivalizando con los electrolitos de estado sólido actuales para futuras aplicaciones de dispositivos.
Área de la Ciencia:
- Ciencias de los materiales
- Química del estado sólido
- Nanotecnología
Sus antecedentes:
- Las estructuras metálicas orgánicas (MOF) son materiales cristalinos porosos con estructuras sintonizables.
- La conducción de protones en los materiales es crucial para aplicaciones energéticas como las pilas de combustible.
- El desarrollo de conductores de protones eficientes y estables sigue siendo un desafío clave.
Objetivo del estudio:
- Síntesis y caracterización de los MOF isostruturales mediante el uso de oxidiacetato (oda^2-).
- Investigar las propiedades de conducción de protones de estos nuevos materiales MOF.
- Para aclarar el mecanismo de transporte de protones e identificar los factores que influyen en la conductividad.
Principales métodos:
- Síntesis y caracterización cristalográfica de tres MOF isostruturales: LaCo, PrCo y LaNi.
- Simulaciones computacionales para analizar las redes de enlaces de hidrógeno dentro de los canales MOF.
- Mediciones de la conductividad del polvo y del monocristal en condiciones variables de humedad y temperatura.
Principales resultados:
- Los MOFs sintetizados, [La2Co3 ((oda) 6 ((H2O)) · 14H2O (LaCo), [Pr2Co3 ((oda) 6 ((H2O)) · 14H2O (PrCo) y [La2Ni3 ((oda) 6 ((H2O)) · 14H2O (LaNi), presentan moléculas de agua invitadas que forman redes de enlaces de hidrógeno.
- Las mediciones de conductividad del polvo indicaron un mecanismo de transporte de protones de tipo Grotthuss, aunque limitado por los efectos del límite del grano.
- Las mediciones de conductividad de un solo cristal de PrCo demostraron una conducción altamente anisotrópica, con un transporte de protones significativo a lo largo de los canales de poros (σ ≈ 10 ^ - 1 S · cm ^ - 1 a 316 K, 100% RH).
Conclusiones:
- Los MOF estudiados exhiben capacidades prometedoras de conducción de protones, en particular PrCo.
- El mecanismo de Grotthuss y la conducción anisotrópica destacan el potencial de los MOF para aplicaciones de transporte de protones.
- Estos hallazgos proporcionan una base para el diseño de dispositivos avanzados de conducción de protones basados en MOF.
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