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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  <identifier identifierType="URL">https://www.openaccessrepository.it/record/77075</identifier>
  <creators>
    <creator>
      <creatorName>Amayuelas, Eder</creatorName>
      <givenName>Eder</givenName>
      <familyName>Amayuelas</familyName>
    </creator>
    <creator>
      <creatorName>Tortora, Marco</creatorName>
      <givenName>Marco</givenName>
      <familyName>Tortora</familyName>
    </creator>
    <creator>
      <creatorName>Bartolomè, Luis</creatorName>
      <givenName>Luis</givenName>
      <familyName>Bartolomè</familyName>
    </creator>
    <creator>
      <creatorName>Littlefair, Josh D.</creatorName>
      <givenName>Josh D.</givenName>
      <familyName>Littlefair</familyName>
    </creator>
    <creator>
      <creatorName>Paulo, Gonçalo</creatorName>
      <givenName>Gonçalo</givenName>
      <familyName>Paulo</familyName>
    </creator>
    <creator>
      <creatorName>Le Donne, Andrea</creatorName>
      <givenName>Andrea</givenName>
      <familyName>Le Donne</familyName>
    </creator>
    <creator>
      <creatorName>Trump, Benjamin</creatorName>
      <givenName>Benjamin</givenName>
      <familyName>Trump</familyName>
    </creator>
    <creator>
      <creatorName>Yakovenko, Andrey A.</creatorName>
      <givenName>Andrey A.</givenName>
      <familyName>Yakovenko</familyName>
    </creator>
    <creator>
      <creatorName>Chorązėwski, Mirosław</creatorName>
      <givenName>Mirosław</givenName>
      <familyName>Chorązėwski</familyName>
    </creator>
    <creator>
      <creatorName>Giacomello, Alberto</creatorName>
      <givenName>Alberto</givenName>
      <familyName>Giacomello</familyName>
    </creator>
    <creator>
      <creatorName>Zajdel, Paweł</creatorName>
      <givenName>Paweł</givenName>
      <familyName>Zajdel</familyName>
    </creator>
    <creator>
      <creatorName>Meloni, Simone</creatorName>
      <givenName>Simone</givenName>
      <familyName>Meloni</familyName>
    </creator>
    <creator>
      <creatorName>Grosu, Yaroslav</creatorName>
      <givenName>Yaroslav</givenName>
      <familyName>Grosu</familyName>
    </creator>
  </creators>
  <titles>
    <title>Mechanism of Water Intrusion into Flexible ZIF-8: Liquid Is Not Vapor</title>
  </titles>
  <publisher>INFN Open Access Repository</publisher>
  <publicationYear>2023</publicationYear>
  <dates>
    <date dateType="Issued">2023-06-09</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://www.openaccessrepository.it/record/77075</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1021/acs.nanolett.3c00235</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/">Creative Commons Attribution 4.0</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&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;</description>
  </descriptions>
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