Textural properties of a large collection of computationally constructed MOFs and zeolites

Volume: 186, Pages: 207 - 213
Published: Mar 1, 2014
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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