Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

Claire L. Hobday; Christopher H. Woodall; Matthew J. Lennox; Mungo Frost; Konstantin Kamenev; Tina Düren; Carole A. Morrison; Stephen A. Moggach

doi:10.1038/s41467-018-03878-6

Nature Communications (Apr 2018)

Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

Claire L. Hobday,
Christopher H. Woodall,
Matthew J. Lennox,
Mungo Frost,
Konstantin Kamenev,
Tina Düren,
Carole A. Morrison,
Stephen A. Moggach

Affiliations

Claire L. Hobday: EaStChem School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh
Christopher H. Woodall: Department of Engineering, Centre for Science at Extreme Conditions, University of Edinburgh
Matthew J. Lennox: Centre for Advanced Separations Engineering, Department of Chemical Engineering, University of Bath
Mungo Frost: Department of Engineering, Centre for Science at Extreme Conditions, University of Edinburgh
Konstantin Kamenev: Department of Engineering, Centre for Science at Extreme Conditions, University of Edinburgh
Tina Düren: Centre for Advanced Separations Engineering, Department of Chemical Engineering, University of Bath
Carole A. Morrison: EaStChem School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh
Stephen A. Moggach: EaStChem School of Chemistry and Centre for Science at Extreme Conditions, University of Edinburgh

DOI: https://doi.org/10.1038/s41467-018-03878-6
Journal volume & issue: Vol. 9, no. 1
pp. 1 – 9

Abstract

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Understanding host–guest interactions and structural changes within porous materials is crucial for enhancing gas storage properties. Here, the authors combine cryogenic loading of gases with high pressure crystallography and computational techniques to obtain atomistic detail of adsorption-induced structural and energetic changes in ZIF-8.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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