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Un óxido de perovskita optimizado para la catálisis de la evolución del oxígeno a partir de principios orbitales
Jin Suntivich1, Kevin J May, Hubert A Gasteiger
1Materials Science and Engineering Department, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Science (New York, N.Y.)
|October 29, 2011
Resumen
Un nuevo catalizador, Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF), mejora significativamente la cinética de la reacción de evolución del oxígeno (OER), crucial para el almacenamiento de energía. Este descubrimiento ofrece un camino hacia baterías más eficientes y la producción de hidrógeno.
Área de la Ciencia:
- Ciencia de los materiales Ciencia de los materiales.
- La electroquímica es electroquímica.
- La catálisis es la catálisis.
Sus antecedentes:
- La reacción de evolución del oxígeno (OER) es un cuello de botella crítico en las tecnologías de almacenamiento de energía como las baterías de aire metálico y la división del agua para la producción de hidrógeno.
- La cinética lenta de los OER limita la eficiencia general y la escalabilidad de estos procesos vitales de conversión de energía.
Objetivo del estudio:
- Identificar y desarrollar catalizadores altamente activos para la reacción de evolución del oxígeno (OER).
- Comprender los principios fundamentales que rigen la actividad OER en óxidos de metales en transición.
Principales métodos:
- Cribado sistemático de más de 10 óxidos de metales de transición para establecer un principio de diseño para la catálisis de OER.
- Validación experimental del rendimiento predicho del catalizador utilizando Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF).
Principales resultados:
- Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF) demuestra una actividad intrínseca de OER por lo menos un orden de magnitud mayor que los catalizadores de óxido de iridio de última generación en medios alcalinos.
- La actividad de OER se correlaciona con una dependencia en forma de volcán en la ocupación de electrones de los cationes metálicos de transición de la superficie, alcanzando un pico cerca de la unidad.
- La alta covalencia de los enlaces metal-oxígeno de transición se identifica como un factor clave para mejorar la actividad de OER.
Conclusiones:
- BSCF es un catalizador altamente eficiente para la reacción de evolución del oxígeno.
- El principio de diseño establecido basado en la ocupación de electrones e (g) y la covalencia de enlaces M-O proporciona una herramienta predictiva para descubrir nuevos catalizadores OER.
- Esta investigación allana el camino para mejorar las tecnologías de almacenamiento de energía y producción de hidrógeno.
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