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Catalizadores de polioxometalato dispersos atómicamente: ¿Cómo afecta la interacción del soporte metálico a la
Bin Zhang1, Geng Sun2, Shipeng Ding1
1Department of Chemical and Biomolecular Engineering , National University of Singapore , 4 Engineering Drive 4 , 117585 Singapore.
Journal of the American Chemical Society
|April 30, 2019
Resumen
Los catalizadores de un solo átomo soportados (SAC) con átomos de platino en polioxometalatos muestran una alta estabilidad y actividad. Estos SAC de platino ofrecen un mejor rendimiento en las reacciones de hidrogenación sin comprometer la potencia catalítica.
Área de la Ciencia:
- Catálisis heterogénea
- Ciencias de los materiales
- Química de las superficies
Sus antecedentes:
- Los catalizadores de un solo átomo soportados (SAC) presentan átomos de metal dispersos atómicamente, lo que lleva a interacciones significativas con el soporte de metal.
- Comprender la estabilidad y la influencia catalítica de estas interacciones es crucial para el diseño de catalizadores avanzados.
Objetivo del estudio:
- Investigar cuantitativamente la estabilidad de los átomos de platino (Pt) en soportes de polioxometalato.
- Para aclarar cómo las interacciones de soporte de Pt afectan el rendimiento catalítico en las reacciones de hidrogenación.
Principales métodos:
- Síntesis y caracterización de catalizadores Pt soportados por polioxometalato.
- Evaluación experimental del rendimiento catalítico en reacciones de hidrogenación.
- Cálculos de la Teoría Funcional de la Densidad (DFT) para simular las vías de reacción y la energía.
Principales resultados:
- Los átomos Pt se adsorben preferentemente en sitios huecos de 4 veces en los polioxometalatos, con una energía de adsorción mínima de 5,50 eV que garantiza la resistencia a la sinterización.
- La actividad catalítica en las reacciones de hidrogenación muestra vías similares y barreras efectivas bajas (24 kJ/mol) en diferentes interacciones de soporte de Pt.
- DFT confirma que las reacciones ocurren únicamente en átomos Pt, con hidrogenación que se produce a través de H2 adsorbido molecularmente y una adsorción de H2 más débil en SAC.
Conclusiones:
- El logro de SAC de platino altamente estables en polioxometalatos es posible sin sacrificar la actividad catalítica.
- Las bajas barreras de activación observadas se atribuyen a una adsorción de H2 más débil en las SAC de Pt en comparación con los grupos o superficies.
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