Metal-organic frameworks (MOFs) are crystalline, nanoporous materials with extraordinarily high surface areas and chemically tunable structures that make them ideal candidates for a wide range of adsorption applications. One key hurdle to the widespread application of these materials is their poorly understood hydrothermal stability. This presentation discusses the complimentary experimental and molecular modeling techniques that can be used to understand the important structure-property relationships governing chemical stability properties in MOFs. Experimental and computational results obtained from the isostructural pillared Zn-DMOF series of frameworks are presented to illustrate these concepts.

Employing simulation and experiment to evaluate and predict chemical stability of metal-organic frameworks

251st National Meeting (2016)

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