Understanding Mechanism of Adsorption-Induced Structure Transition of Metal Organic Frameworks and its Application for Design of New Soft Nanospaces

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The Metal-Organic Frameworks(MOF) of the third generation are known to exhibit a steep rise in adsorption isotherm driven by adsorption-induced structure transition, which provides potential applications for gas storage and separation. We succeeded in understanding the mechanism of the adsorption-induced structure transition for the jungle-gym-like and stacked layer MOFs by the free-energy analysis coupled with the molecular simulations.