Flexibility in a Metal–Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

Flexibility in a Metal–Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al)

Breathtaking MOFs: DFT calculations reveal that the exceptional, thermally induced density change of the metal–organic framework MIL53(Al) is controlled by a competition between short- and long-range interactions and entropic factors. As shown in the picture (C green, Al cyan, O red, H white), dispe...

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Bibliographic Details
Main Authors: Walker, A., Civalleri, B., Slater, B., Mellot-Draznieks, C., Corà, F., Zicovich-Wilson, C.M., Román-Pérez, G., Soler, J., Gale, Julian
Format: Journal Article
Published: Wiley-VCH Verlag GMBH 2010
Subjects:
metal–organic frameworks
dispersion interactions
density functional calculations
scaffold breathing
gas adsorption
Online Access:http://hdl.handle.net/20.500.11937/9088

Internet

http://hdl.handle.net/20.500.11937/9088

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