Textural properties of a large collection of computationally constructed MOFs and zeolites
Abstract
Metal–organic frameworks (MOFs) are porous crystals with the potential to improve many industrial gas adsorption and separations processes. Because MOFs are synthesized in a “building block” fashion and can incorporate a wide range of organic linkers, an almost unlimited number of different MOFs are possible. Here, we applied high-throughput computational analysis methods to 137,000 hypothetical MOFs and calculated their geometric and adsorption...
Paper Details
Title
Textural properties of a large collection of computationally constructed MOFs and zeolites
Published Date
Mar 1, 2014
Volume
186
Pages
207 - 213
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