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

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...

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Autores principales:	Claire L. Hobday, Christopher H. Woodall, Matthew J. Lennox, Mungo Frost, Konstantin Kamenev, Tina Düren, Carole A. Morrison, Stephen A. Moggach
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/5775182e1e974b6db15e6875407d4466
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spelling	oai:doaj.org-article:5775182e1e974b6db15e6875407d44662021-12-02T17:31:29ZUnderstanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling10.1038/s41467-018-03878-62041-1723https://doaj.org/article/5775182e1e974b6db15e6875407d44662018-04-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-03878-6https://doaj.org/toc/2041-1723Understanding 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.Claire L. HobdayChristopher H. WoodallMatthew J. LennoxMungo FrostKonstantin KamenevTina DürenCarole A. MorrisonStephen A. MoggachNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Claire L. Hobday Christopher H. Woodall Matthew J. Lennox Mungo Frost Konstantin Kamenev Tina Düren Carole A. Morrison Stephen A. Moggach Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
description	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.
format	article
author	Claire L. Hobday Christopher H. Woodall Matthew J. Lennox Mungo Frost Konstantin Kamenev Tina Düren Carole A. Morrison Stephen A. Moggach
author_facet	Claire L. Hobday Christopher H. Woodall Matthew J. Lennox Mungo Frost Konstantin Kamenev Tina Düren Carole A. Morrison Stephen A. Moggach
author_sort	Claire L. Hobday
title	Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
title_short	Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
title_full	Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
title_fullStr	Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
title_full_unstemmed	Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
title_sort	understanding the adsorption process in zif-8 using high pressure crystallography and computational modelling
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/5775182e1e974b6db15e6875407d4466
work_keys_str_mv	AT clairelhobday understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT christopherhwoodall understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT matthewjlennox understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT mungofrost understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT konstantinkamenev understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT tinaduren understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT caroleamorrison understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling AT stephenamoggach understandingtheadsorptionprocessinzif8usinghighpressurecrystallographyandcomputationalmodelling
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Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling

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