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Hipotéticos carbonos de gran superficie con capacidades excepcionales de almacenamiento de hidrógeno: marcos de
Bogdan Kuchta1, Lucyna Firlej, Ali Mohammadhosseini
1Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA. bogdan.kuchta@univ-amu.fr
Journal of the American Chemical Society
|August 18, 2012
Resumen
Nuevas estructuras de carbono hipotéticas, llamadas marcos de carbono abiertos (OCF), muestran capacidades récord de almacenamiento de hidrógeno. Estos OCF, con altas superficies y sitios de borde, podrían satisfacer las demandas de aplicaciones móviles para la absorción de hidrógeno.
Área de la Ciencia:
- Ciencia de los materiales Ciencia de los materiales.
- Química Física es la química física.
- Nanotecnología La nanotecnología es la nanotecnología.
Sus antecedentes:
- El almacenamiento tradicional de hidrógeno en carbonos se basa en láminas de grafeno paralelas en poros de hendidura.
- Los carbonos de gran superficie son cruciales para una eficiente adsorción y almacenamiento de gases.
Objetivo del estudio:
- Investigar nuevas estructuras de carbono de gran superficie más allá de los modelos tradicionales.
- Explorar las relaciones estructura-función para mejorar la adsorción de hidrógeno.
- Determinar los límites físicos de la adsorción de hidrógeno en materiales porosos basados en carbono.
Principales métodos:
- Simulaciones canónicas de Monte Carlo de la adsorción de hidrógeno molecular.
- Desarrollo y validación de los potenciales de interacción adsorbente-adsorbato.
- Comparación de isotermas simuladas con datos experimentales sobre el carbón activado.
Principales resultados:
- La fragmentación de las láminas de grafeno crea marcos abiertos de carbono (OCF) con superficies superiores a 2600 m2/g.
- Los OCF lograron un exceso récord de adsorción (75-85 g/kg) y capacidad de almacenamiento (100-260 g/kg) a 77 K y 100 bar.
- La adsorción es limitada en estructuras con baja energía de adsorción, lo que sugiere vías para una mayor mejora.
Conclusiones:
- Las estructuras OCF ofrecen un almacenamiento de hidrógeno significativamente mayor que los poros en forma de hendidura.
- Los OCF sintetizables podrían cumplir con los requisitos de absorción de hidrógeno para aplicaciones móviles.
- Este estudio define los límites físicos para la adsorción de hidrógeno en materiales de carbono.
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