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Efecto ligando dependiente de la composición de la superficie en la sintonización de la actividad de los

Chao Wei^1,2, Yuanmiao Sun¹, Günther G Scherer^3,4

¹School of Materials Science and Engineering, Nanyang Technological University, 50 Nanyang Avenue, 639798, Singapore.

Journal of the American Chemical Society

|April 14, 2020

Resumen

El desarrollo de electrocatalizadores eficientes para la reacción de evolución del hidrógeno (HER) en medios alcalinos es crucial. Este estudio muestra que el centro de banda d predice efectivamente la actividad alcalina de HER en catalizadores bimetálicos de NiCu, orientando el diseño futuro del catalizador.

Área de la Ciencia:

Ciencias de los materiales
La electroquímica
Catálisis

Sus antecedentes:

Los electrocatalizadores eficientes y de bajo costo son esenciales para el avance de los electrolizadores de membrana de intercambio aniónico.
La comprensión de los descriptores de la actividad de la reacción de evolución del hidrógeno alcalino (HER) es crítica para el diseño racional del catalizador.
Los principios actuales que rigen el rendimiento de la HER alcalina no están completamente establecidos.

Objetivo del estudio:

Para investigar los descriptores que gobiernan la actividad alcalina de HER.
Explorar la relación entre la estructura electrónica y el rendimiento de HER en sistemas bimetálicos de NiCu.
Para validar el papel del centro de la banda d como un descriptor para el HER alcalino.

Principales métodos:

Estudio sistemático del HER alcalino en una serie de superficies bimetálicas de NiCu.
Modulación de la estructura electrónica mediante el efecto ligando.
Correlación de la actividad alcalina de HER con el centro de la banda d calculado y medido experimentalmente.

Principales resultados:

Se observó una relación de tipo volcánico entre la actividad alcalina de HER y el centro de la banda d.
El centro de la banda d fue identificado como un descriptor clave para la energía de enlace de hidrógeno.
Las aleaciones de NiCu crean diversos sitios de adsorción con energías de enlace de hidrógeno casi óptimas.

Conclusiones:

El centro de banda d predice efectivamente la actividad alcalina de HER en los catalizadores bimetálicos de NiCu.
Este hallazgo extiende la aplicabilidad de la teoría de la banda d a la predicción de la actividad del electrocatalizador metálico.
El estudio proporciona información sobre el mecanismo alcalino de HER y el diseño del catalizador.

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