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Descubriendo el papel dominante de una red de agua extendida asimétrica de cuatro coordenadas en la reacción de

Shanshan Li^1,2,3, Lie Wu¹, Qixin Liu^1,2

¹State Key Lab of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, Jilin, China.

Journal of the American Chemical Society

|November 30, 2023

Resumen

Este estudio revela cómo la estructura del agua interfacial impacta la actividad de la reacción de evolución del hidrógeno (HER). La adaptación de las redes de agua utilizando nanoconfinamiento y líquidos iónicos ofrece un nuevo marco para la investigación de la catálisis.

Área de la Ciencia:

Química de las superficies
La electroquímica
Química computacional

Sus antecedentes:

La medición precisa del agua interfacial en la reacción de evolución del hidrógeno (HER) es un desafío debido a las complejas estructuras e interacciones del agua.
La interferencia del agua a granel y la intrincada dinámica de la interfaz dificultan el sondeo directo del agua interfacial.
La espectroscopia de absorción infrarroja mejorada por superficie (SEIRAS) ofrece una alta sensibilidad para estudios de agua interfacial.

Objetivo del estudio:

Desarrollar una estrategia para el desacoplamiento y la adaptación de las estructuras de agua interfacial en la capa doble eléctrica.
Para correlacionar estructuras de agua específicas (aisladas, agrupaciones, redes) con la actividad de HER.
Proporcionar un marco para comprender el papel del agua en la catálisis y la ciencia de la superficie.

Principales métodos:

Desarrollo de una estrategia de nanoconfinamiento utilizando líquidos iónicos no acuosos.
Integración de la espectroscopia de absorción de infrarrojos mejorada por superficie (SEIRAS).
Aplicación de simulaciones de dinámica molecular.

Principales resultados:

Estructuras de agua de interfaz desacopladas y adaptadas con éxito.
Se estableció una correlación entre la conectividad de la red de agua y la actividad de HER.
Identificó una red de agua asimétrica de cuatro coordenadas dependiente del potencial como clave para la actividad de HER.
Se ha demostrado que las propiedades catiónicas (hidrófilas/hidrófobas) regulan la conectividad de la red de agua.

Conclusiones:

El estudio proporciona un marco pionero para comprender la función del agua interfacial en la catálisis.
La estrategia de nanoconfinamiento analiza y manipula eficazmente las estructuras de agua en las interfaces.
La adaptación de la conectividad de la red de agua es un enfoque prometedor para mejorar la actividad de HER y otros procesos catalíticos.

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