Journal article Open Access
Amayuelas, Eder; Tortora, Marco; Bartolomè, Luis; Littlefair, Josh D.; Paulo, Gonçalo; Le Donne, Andrea; Trump, Benjamin; Yakovenko, Andrey A.; Chorązėwski, Mirosław; Giacomello, Alberto; Zajdel, Paweł; Meloni, Simone; Grosu, Yaroslav
{ "DOI": "10.1021/acs.nanolett.3c00235", "abstract": "<p>Zeolitic Imidazolate Frameworks (ZIF) find application in storage and dissipation of mechanical energy.<br>\nTheir distinctive properties linked to their (sub)nanometer size and hydrophobicity allow for water intrusion only under high hydrostatic pressure. Here we focus on the popular ZIF-8 material investigating the intrusion mechanism in its nanoscale cages, which is the key to its rational exploitation in target applications. In this work, we used a joint experimental/theoretical approach combining in operando synchrotron experiments during high- pressure intrusion experiments, molecular dynamics simulations, and stochastic models to reveal that water intrusion into ZIF-8 occurs by a cascade filling of connected cages rather than a condensation process as previously assumed. The reported results allowed us to establish structure/function relations in this prototypical microporous material, representing an important step to devise design rules to synthesize porous media.</p>", "author": [ { "family": "Amayuelas, Eder" }, { "family": "Tortora, Marco" }, { "family": "Bartolom\u00e8, Luis" }, { "family": "Littlefair, Josh D." }, { "family": "Paulo, Gon\u00e7alo" }, { "family": "Le Donne, Andrea" }, { "family": "Trump, Benjamin" }, { "family": "Yakovenko, Andrey A." }, { "family": "Chor\u0105z\u0117wski, Miros\u0142aw" }, { "family": "Giacomello, Alberto" }, { "family": "Zajdel, Pawe\u0142" }, { "family": "Meloni, Simone" }, { "family": "Grosu, Yaroslav" } ], "id": "77075", "issued": { "date-parts": [ [ 2023, 6, 9 ] ] }, "title": "Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor", "type": "article-journal" }
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