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.

References in corpus (7)

• Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration
• Hybrid improper ferroelectricity in a Multiferroic and Magnetoelectric hybrid organic-inorganic perosvkite
• Tuning the Gate Opening Pressure of Metal Organic Frameworks (MOFs) for the Selective Separation of Hydro-carbons
• Diffusion of Small Molecules in Metal Organic Framework Materials
• Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory
• Study of van der Waals bonding and interactions in metal organic framework materials
• NMR study of small molecule adsorption in MOF-74-Mg

Cited by in corpus (2)

• Cluster Assisted Water Dissociation Mechanism in MOF-74 and Controlling it Using Helium
• Chemistry in confined spaces: Reactivity of the Zn-MOF-74 channels