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Giant and Reversible Barocaloric Effect in Trinuclear Spin-Crossover Complex Fe-3(bntrz)(6)(tcnset)(6)

Romanini, Michela; Wang, YiXu; Gurpinar, Kubra; Ornelas, Gladys; Lloveras, Pol; Zhang, Yan; Zheng, Wenkai; Barrio, Maria; Aznar, Araceli; Gracia-Condal, Adria; Emre, Baris; Atakol, Orhan; Popescu, Catalin; Zhang, Hu; Long, Yi; Balicas, Luis; Lluis Tamarit, Josep; Planes, Antoni; Shatruk, Michael; Manosa, Lluis


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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/235424</identifier>
  <creators>
    <creator>
      <creatorName>Romanini, Michela</creatorName>
      <givenName>Michela</givenName>
      <familyName>Romanini</familyName>
      <affiliation>Univ Barcelona, Fac Fis Marti &amp; Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain</affiliation>
    </creator>
    <creator>
      <creatorName>Wang, YiXu</creatorName>
      <givenName>YiXu</givenName>
      <familyName>Wang</familyName>
    </creator>
    <creator>
      <creatorName>Gurpinar, Kubra</creatorName>
      <givenName>Kubra</givenName>
      <familyName>Gurpinar</familyName>
      <affiliation>Ankara Univ, Fac Sci, Dept Chem, TR-06100 Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Ornelas, Gladys</creatorName>
      <givenName>Gladys</givenName>
      <familyName>Ornelas</familyName>
    </creator>
    <creator>
      <creatorName>Lloveras, Pol</creatorName>
      <givenName>Pol</givenName>
      <familyName>Lloveras</familyName>
    </creator>
    <creator>
      <creatorName>Zhang, Yan</creatorName>
      <givenName>Yan</givenName>
      <familyName>Zhang</familyName>
      <affiliation>Florida State Univ, Dept Chem &amp; Biochem, Tallahassee, FL 32306 USA</affiliation>
    </creator>
    <creator>
      <creatorName>Zheng, Wenkai</creatorName>
      <givenName>Wenkai</givenName>
      <familyName>Zheng</familyName>
      <affiliation>Natl High Magnet Field Lab, Tallahassee, FL 32310 USA</affiliation>
    </creator>
    <creator>
      <creatorName>Barrio, Maria</creatorName>
      <givenName>Maria</givenName>
      <familyName>Barrio</familyName>
    </creator>
    <creator>
      <creatorName>Aznar, Araceli</creatorName>
      <givenName>Araceli</givenName>
      <familyName>Aznar</familyName>
    </creator>
    <creator>
      <creatorName>Gracia-Condal, Adria</creatorName>
      <givenName>Adria</givenName>
      <familyName>Gracia-Condal</familyName>
      <affiliation>Univ Barcelona, Fac Fis Marti &amp; Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain</affiliation>
    </creator>
    <creator>
      <creatorName>Emre, Baris</creatorName>
      <givenName>Baris</givenName>
      <familyName>Emre</familyName>
      <affiliation>Ankara Univ, Fac Engn, Dept Engn Phys, TR-06100 Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Atakol, Orhan</creatorName>
      <givenName>Orhan</givenName>
      <familyName>Atakol</familyName>
      <affiliation>Ankara Univ, Fac Sci, Dept Chem, TR-06100 Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Popescu, Catalin</creatorName>
      <givenName>Catalin</givenName>
      <familyName>Popescu</familyName>
      <affiliation>CELLS ALBA Synchrotron, E-08290 Cerdanyola Del Valles, Catalonia, Spain</affiliation>
    </creator>
    <creator>
      <creatorName>Zhang, Hu</creatorName>
      <givenName>Hu</givenName>
      <familyName>Zhang</familyName>
      <affiliation>Univ Sci &amp; Technol Beijing, Sch Mat Sci &amp; Engn, Beijing 100083, Peoples R China</affiliation>
    </creator>
    <creator>
      <creatorName>Long, Yi</creatorName>
      <givenName>Yi</givenName>
      <familyName>Long</familyName>
      <affiliation>Univ Sci &amp; Technol Beijing, Sch Mat Sci &amp; Engn, Beijing 100083, Peoples R China</affiliation>
    </creator>
    <creator>
      <creatorName>Balicas, Luis</creatorName>
      <givenName>Luis</givenName>
      <familyName>Balicas</familyName>
      <affiliation>Natl High Magnet Field Lab, Tallahassee, FL 32310 USA</affiliation>
    </creator>
    <creator>
      <creatorName>Lluis Tamarit, Josep</creatorName>
      <givenName>Josep</givenName>
      <familyName>Lluis Tamarit</familyName>
    </creator>
    <creator>
      <creatorName>Planes, Antoni</creatorName>
      <givenName>Antoni</givenName>
      <familyName>Planes</familyName>
      <affiliation>Univ Barcelona, Fac Fis Marti &amp; Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain</affiliation>
    </creator>
    <creator>
      <creatorName>Shatruk, Michael</creatorName>
      <givenName>Michael</givenName>
      <familyName>Shatruk</familyName>
    </creator>
    <creator>
      <creatorName>Manosa, Lluis</creatorName>
      <givenName>Lluis</givenName>
      <familyName>Manosa</familyName>
      <affiliation>Univ Barcelona, Fac Fis Marti &amp; Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Giant And Reversible Barocaloric Effect In Trinuclear Spin-Crossover Complex Fe-3(Bntrz)(6)(Tcnset)(6)</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2021</publicationYear>
  <dates>
    <date dateType="Issued">2021-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/235424</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1002/adma.202008076</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">A giant barocaloric effect (BCE) in a molecular material Fe-3(bntrz)(6)(tcnset)(6) (FBT) is reported, where bntrz = 4-(benzyl)-1,2,4-triazole and tcnset = 1,1,3,3-tetracyano-2-thioethylepropenide. The crystal structure of FBT contains a trinuclear transition metal complex that undergoes an abrupt spin-state switching between the state in which all three Fe-II centers are in the high-spin (S = 2) electronic configuration and the state in which all of them are in the low-spin (S = 0) configuration. Despite the strongly cooperative nature of the spin transition, it proceeds with a negligible hysteresis and a large volumetric change, suggesting that FBT should be a good candidate for producing a large BCE. Powder X-ray diffraction and calorimetry reveal that the material is highly susceptible to applied pressure, as the transition temperature spans the range from 318 at ambient pressure to 383 K at 2.6 kbar. Despite the large shift in the spin-transition temperature, its nonhysteretic character is maintained under applied pressure. Such behavior leads to a remarkably large and reversible BCE, characterized by an isothermal entropy change of 120 J kg(-1) K-1 and an adiabatic temperature change of 35 K, which are among the highest reversible values reported for any caloric material thus far.</description>
  </descriptions>
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