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Catalizadores moleculares de paladio coordinados por heteroátomos para la producción electroquímica sostenible de

Endalkachew Asefa Moges¹, Chia-Yu Chang¹, Wei-Hsiang Huang²

¹NanoElectrochemistry Laboratory, Graduate Institute of Applied Science and Technology, National Taiwan University of Science and Technology, Taipei 106, Taiwan.

Journal of the American Chemical Society

|December 28, 2023

Resumen

Los nuevos catalizadores de un solo átomo producen eficientemente peróxido de hidrógeno (H2O2) mediante electrocatálisis. El catalizador Pd-N4-CO demuestra una alta selectividad y un bajo consumo de energía, ofreciendo una alternativa sostenible a la fabricación tradicional.

Área de la Ciencia:

Ciencias de los materiales
La electroquímica
Catálisis

Sus antecedentes:

La producción actual de peróxido de hidrógeno (H2O2) se basa en el proceso de antraquinona que requiere mucha energía.
Este método implica una extracción costosa con disolventes y múltiples pasos que consumen energía.

Objetivo del estudio:

Desarrollar nuevos catalizadores monoatómicos para una electrosíntesis de H2O2 eficiente y sostenible.
Investigar la actividad catalítica y la selectividad de los catalizadores monoatómicos basados en el paladio con ligandos ricos en heteroátomos.

Principales métodos:

Síntesis in situ de catalizadores de un solo átomo (Pd-N4-CO, Pd-S4-NCO, Pd-N2O2-C) utilizando ligandos ricos en heteroátomos y carbón activado.
Reducción electrocatalítica del oxígeno (O2) a H2O2 en un electrolito básico.
Cálculos de la Teoría Funcional de Densidad (DFT) para elucidar los sitios activos y los mecanismos de reacción.

Principales resultados:

El catalizador Pd-N4-CO exhibió un excelente rendimiento para la reacción de reducción de oxígeno de 2 electrones (ORR) a H2O2.
Se ha logrado una selectividad >95% para la producción de H2O2 con un exceso de potencial insignificante.
Orden de actividad del catalizador: Pd-N4-CO > Pd-N2O2-C > Pd-S4-NCO, explicado por un mecanismo de tracción y empuje.

Conclusiones:

Los catalizadores monoatómicos, en particular el Pd-N4-CO, ofrecen una vía altamente selectiva y eficiente en cuanto a energía para la electrosíntesis de H2O2.
La fuerte interacción entre los heteroátomos Pd y N/O es crucial para una alta selectividad de H2O2.
Esta investigación presenta una estrategia prometedora para el diseño de catalizadores avanzados para la síntesis química verde.

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