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Heteroátomos de doble metal con una coordinación diferente para una catálisis sinérgica eficiente

Xin Zhao¹, Fengliang Wang¹, Xiang-Peng Kong²

¹State Key Laboratory of Pulp and Paper Engineering, School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou 510640, China.

Journal of the American Chemical Society

|September 23, 2021

Resumen

Este estudio introduce un nuevo método para crear átomos únicos de doble metal (SA) con una coordinación única para una catálisis mejorada. El nuevo catalizador de un solo átomo Cu-Co muestra un rendimiento mejorado en las reacciones de esterificación oxidativa.

Área de la Ciencia:

Ciencias de los materiales
Catálisis
Nanotecnología

Sus antecedentes:

La adaptación de los entornos de coordinación de un solo átomo de metal (SA) es crucial para mejorar la actividad catalítica.
El desarrollo de estrategias efectivas para la fabricación de SA coordinadas con precisión sigue siendo un desafío importante.

Objetivo del estudio:

Informar sobre una nueva estrategia de deposición extraviada para crear hetero-SAs de doble metal coordinadas de manera diferente.
Investigar el rendimiento catalítico de estos nuevos AS en la esterificación oxidativa.

Principales métodos:

Fabricación de hetero-SAs de metales duales (Cu y Co) utilizando una estrategia de deposición fuera de lugar.
Caracterización sistemática que incluye espectroscopia y microscopia de rayos X.
Cálculos de la teoría funcional de la densidad (DFT) para comprender la estructura y las interacciones electrónicas.

Principales resultados:

Se han sintetizado con éxito hetero-SAs de doble metal (CuC4/CoN4) anclados en un soporte jerárquico de carbono.
DFT reveló interacciones sinérgicas y distribuciones de carga polarizadas entre los sitios CuC4 y CoN4.
El catalizador CuC4/CoN4@HC demostró una mayor adsorción de sustrato y activación de O2.

Conclusiones:

Los nuevos hetero-SA de doble metal exhiben un rendimiento catalítico superior en la esterificación oxidativa en comparación con sus homólogos de SA de un solo metal.
Los resultados ponen de relieve el potencial de controlar con precisión la coordinación de SA para el diseño avanzado de catalizadores.
Esta estrategia ofrece una nueva vía para el desarrollo de catalizadores monoatómicos de alto rendimiento.

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