DGIST Scholar: Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?

Title: Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?

Citation: Farha, Omar K. (2012-09). Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit? doi: 10.1021/ja3055639

Subject: Acetylene ; Activation Techniques ; Brunauer-Emmett-Teller Surface Areas ; Carbon Dioxide ; Controlled Study ; Crystallography, X-Ray ; Java Programming Language ; Mathematical Computing ; Metal Organic Framework ; Metal Organic Framework Materials ; Models, Molecular ; Molecular Dynamics Simulation ; Molecular Structure ; Organometallic Compounds ; Phenyl Group ; Pore Collapse ; Porosity ; Porous Materials ; Space Efficient ; Supercritical CO ; Surface Area ; Surface Properties ; Surface Property

Abstract: We have synthesized, characterized, and computationally simulated/validated the behavior of two new metal-organic framework (MOF) materials displaying the highest experimental Brunauer-Emmett-Teller (BET) surface areas of any porous materials reported to date (∼7000 m2/g). Key to evacuating the initially solvent-filled materials without pore collapse, and thereby accessing the ultrahigh areas, is the use of a supercritical CO2 activation technique. Additionally, we demonstrate computationally that by shifting from phenyl groups to "space efficient" acetylene moieties as linker expansion units, the hypothetical maximum surface area for a MOF material is substantially greater than previously envisioned (∼14600 m2/g (or greater) versus ∼10500 m2/g). © 2012 American Chemical Society.

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