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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{
  "@context": "https://schema.org/", 
  "@id": "https://doi.org/10.1021/acs.nanolett.3c00235", 
  "@type": "ScholarlyArticle", 
  "creator": [
    {
      "@type": "Person", 
      "name": "Amayuelas, Eder"
    }, 
    {
      "@type": "Person", 
      "name": "Tortora, Marco"
    }, 
    {
      "@type": "Person", 
      "name": "Bartolom\u00e8, Luis"
    }, 
    {
      "@type": "Person", 
      "name": "Littlefair, Josh D."
    }, 
    {
      "@type": "Person", 
      "name": "Paulo, Gon\u00e7alo"
    }, 
    {
      "@type": "Person", 
      "name": "Le Donne, Andrea"
    }, 
    {
      "@type": "Person", 
      "name": "Trump, Benjamin"
    }, 
    {
      "@type": "Person", 
      "name": "Yakovenko, Andrey A."
    }, 
    {
      "@type": "Person", 
      "name": "Chor\u0105z\u0117wski, Miros\u0142aw"
    }, 
    {
      "@type": "Person", 
      "name": "Giacomello, Alberto"
    }, 
    {
      "@type": "Person", 
      "name": "Zajdel, Pawe\u0142"
    }, 
    {
      "@type": "Person", 
      "name": "Meloni, Simone"
    }, 
    {
      "@type": "Person", 
      "name": "Grosu, Yaroslav"
    }
  ], 
  "datePublished": "2023-06-09", 
  "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>", 
  "headline": "Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor", 
  "identifier": "https://doi.org/10.1021/acs.nanolett.3c00235", 
  "image": "https://zenodo.org/static/img/logos/zenodo-gradient-round.svg", 
  "license": "https://creativecommons.org/licenses/by/4.0/", 
  "name": "Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor", 
  "url": "https://www.openaccessrepository.it/record/77075"
}