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Estructura local Perspectiva de la evolución del hidrógeno Reacción con nanocatalizadores bimetales

Qiang Li¹, He Zhu¹, Xiaoyu Chen²

¹Beijing Advanced Innovation Center for Materials Genome Engineering, Institute of Solid State Chemistry, University of Science and Technology Beijing, Beijing 100083, China.

Journal of the American Chemical Society

|October 27, 2022

Resumen

Comprender la estructura atómica de los nanocatalizadores bimetálicos es clave para mejorar el rendimiento. Este estudio revela cómo la estructura de la aleación PtFe mejora las reacciones de evolución del hidrógeno (HER) a través de la segregación de fase específica.

Área de la Ciencia:

Ciencias de los materiales
Nanotecnología
Catálisis

Sus antecedentes:

La determinación de la estructura atómica 3D de los nanocatalizadores bimetálicos sub-5 nm es crucial para comprender los mecanismos catalíticos.
La interacción entre los sitios activos y su entorno de coordinación local dicta el rendimiento catalítico.

Objetivo del estudio:

Para investigar la estructura atómica de los nanocatalizadores bimetálicos ordenados de platino y hierro (PtFe).
Para correlacionar las propiedades estructurales con una mayor actividad y estabilidad en las reacciones de evolución del hidrógeno (HER).

Principales métodos:

Utilizó funciones de distribución de pares combinadas con el modelado inverso de Monte Carlo (RMC).
Analizó la simetría de fase de rango local, la composición química y la distribución atómica.

Principales resultados:

Se ha identificado la segregación de fases L12 ricas en Pt1 y ordenadas en Pt3Fe en Pt56Fe44.
Se observó una mayor actividad y estabilidad de HER atribuida a esta segregación de fase.
La superficie de grabado Fe expuso numerosos sitios Pt activos y promovió la recombinación de hidrógeno a través del enlace local Pt-Pt.

Conclusiones:

El estudio proporciona información estructural crítica sobre el arreglo atómico local de los nanocatalizadores bimetálicos.
Los hallazgos son valiosos para el diseño de nuevos nanocatalizadores rentables para HER y otras reacciones.

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