June 9, 2023 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

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