Structural, elastic, thermal, and electronic response of small-molecule-loaded metal organic framework materials

Abstract

We combine infrared spectroscopy, nano-indentation measurements, and \emph{ab initio} simulations to study the evolution of structural, elastic, thermal, and electronic responses of the metal organic framework MOF-74-Zn when loaded with H${}_2$, CO${}_2$, CH${}_4$, and H${}_2$O. We find that the molecular adsorption in this MOF triggers remarkable responses in all of these properties of the host material, with specific signatures for each of the guest molecules. With this comprehensive study we are able to clarify and correlate the underlying mechanisms regulating these responses with changes of the physical and chemical environment. Our findings suggest that metal organic framework materials in general, and MOF-74-Zn in particular, can be very promising materials for novel transducers and sensor applications, including highly selective small-molecule detection in gas mixtures.

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Cited by in corpus (4)

• Cluster Assisted Water Dissociation Mechanism in MOF-74 and Controlling it Using Helium
• Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels
• Elastic heterogeneity governs asymmetric adsorption-desorption in a soft porous crystal
• Adsorption superlattice stabilized by elastic interactions in a soft porous crystal