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Defectos inusuales y altamente sintonizables del enlace perdido en el marco metal-orgánico de zirconio UiO-66 y sus

Hui Wu¹, Yong Shen Chua, Vaiva Krungleviciute

¹NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-6102, United States.

Journal of the American Chemical Society

|July 2, 2013

Resumen

Las estructuras metal-orgánicas reales de UiO-66 contienen defectos significativos de enlaces faltantes, que mejoran la porosidad y la adsorción de gases. El ajuste de estos defectos y la utilización de grupos hidroxilo mejora el rendimiento, especialmente para la captura de CO2.

Área de la Ciencia:

Ciencia de los materiales Ciencia de los materiales.
Química Química es la química.
Nanotecnología La nanotecnología es la nanotecnología.

Sus antecedentes:

UiO-66 es un marco orgánico metálico de zirconio (MOF) estable con una estructura altamente conectada.
El UiO-66 libre de defectos tiene valores teóricos de porosidad y superficie.
Los MOF porosos comunes a menudo carecen de la estabilidad observada en UiO-66.

Objetivo del estudio:

Para investigar los defectos estructurales en materiales reales de UiO-66.
Comprender el impacto de los defectos de los enlaces faltantes en la porosidad y la adsorción de gases.
Explorar métodos para ajustar los defectos y mejorar las propiedades del UiO-66.

Principales métodos:

Difracción de polvo de neutrones de alta resolución para identificar defectos estructurales.
Variación sistemática de la concentración del modulador de ácido acético y el tiempo de síntesis.
Las mediciones de adsorción de gas (porosidad, área de superficie, adsorción de CO2).
Primeros cálculos de principios para apoyar los hallazgos experimentales.

Principales resultados:

Pruebas directas de defectos significativos en los enlaces faltantes (∼10%) en UiO-66, reduciendo la conectividad del marco.
Vacancias en el enlace ajustable que conducen a una porosidad dramáticamente mejorada (hasta 1,0 cm3 / g) y superficie (hasta 1600 m2 / g).
Mayor adsorción de gas, especialmente para el CO2, en la UiO-66 hidroxilada en comparación con las formas deshidroxiladas.

Conclusiones:

Los defectos del enlace perdido son inherentes a UiO-66 y son cruciales para sus propiedades mejoradas.
La ingeniería de defectos ofrece un camino para mejorar significativamente el rendimiento de MOF para el almacenamiento y la separación de gases.
El UiO-66 hidroxilado exhibe una adsorción de gas superior, lo que pone de relieve la importancia de la funcionalización de la superficie.

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