Journal article Open Access

Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor

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


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    <subfield code="a">&lt;p&gt;Zeolitic Imidazolate Frameworks (ZIF) find&amp;nbsp;application in storage and dissipation of mechanical energy.&lt;br&gt;
Their distinctive properties linked to their (sub)nanometer size&amp;nbsp;and hydrophobicity allow for water intrusion only under high&amp;nbsp;hydrostatic pressure. Here we focus on the popular ZIF-8 material&amp;nbsp;investigating the intrusion mechanism in its nanoscale cages, which&amp;nbsp;is the key to its rational exploitation in target applications. In this&amp;nbsp;work, we used a joint experimental/theoretical approach&amp;nbsp;combining in operando synchrotron experiments during high-&amp;nbsp;pressure intrusion experiments, molecular dynamics simulations,&amp;nbsp;and stochastic models to reveal that water intrusion into ZIF-8 occurs by a cascade filling of connected cages rather than a&amp;nbsp;condensation process as previously assumed. The reported results allowed us to establish structure/function relations in this&amp;nbsp;prototypical microporous material, representing an important step to devise design rules to synthesize porous media.&lt;/p&gt;</subfield>
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    <subfield code="a">Yakovenko, Andrey A.</subfield>
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    <subfield code="a">10.1021/acs.nanolett.3c00235</subfield>
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    <subfield code="a">Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor</subfield>
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    <subfield code="c">2023-06-09</subfield>
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