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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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    "creators": [
      {
        "affiliation": "Univ Barcelona, Fac Fis Marti & Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain", 
        "name": "Romanini, Michela"
      }, 
      {
        "name": "Wang, YiXu"
      }, 
      {
        "affiliation": "Ankara Univ, Fac Sci, Dept Chem, TR-06100 Ankara, Turkey", 
        "name": "Gurpinar, Kubra"
      }, 
      {
        "name": "Ornelas, Gladys"
      }, 
      {
        "name": "Lloveras, Pol"
      }, 
      {
        "affiliation": "Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA", 
        "name": "Zhang, Yan"
      }, 
      {
        "affiliation": "Natl High Magnet Field Lab, Tallahassee, FL 32310 USA", 
        "name": "Zheng, Wenkai"
      }, 
      {
        "name": "Barrio, Maria"
      }, 
      {
        "name": "Aznar, Araceli"
      }, 
      {
        "affiliation": "Univ Barcelona, Fac Fis Marti & Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain", 
        "name": "Gracia-Condal, Adria"
      }, 
      {
        "affiliation": "Ankara Univ, Fac Engn, Dept Engn Phys, TR-06100 Ankara, Turkey", 
        "name": "Emre, Baris"
      }, 
      {
        "affiliation": "Ankara Univ, Fac Sci, Dept Chem, TR-06100 Ankara, Turkey", 
        "name": "Atakol, Orhan"
      }, 
      {
        "affiliation": "CELLS ALBA Synchrotron, E-08290 Cerdanyola Del Valles, Catalonia, Spain", 
        "name": "Popescu, Catalin"
      }, 
      {
        "affiliation": "Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China", 
        "name": "Zhang, Hu"
      }, 
      {
        "affiliation": "Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China", 
        "name": "Long, Yi"
      }, 
      {
        "affiliation": "Natl High Magnet Field Lab, Tallahassee, FL 32310 USA", 
        "name": "Balicas, Luis"
      }, 
      {
        "name": "Lluis Tamarit, Josep"
      }, 
      {
        "affiliation": "Univ Barcelona, Fac Fis Marti & Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain", 
        "name": "Planes, Antoni"
      }, 
      {
        "name": "Shatruk, Michael"
      }, 
      {
        "affiliation": "Univ Barcelona, Fac Fis Marti & Franques 1, Dept Fis Mat Condensada, Barcelona 08028, Catalonia, Spain", 
        "name": "Manosa, Lluis"
      }
    ], 
    "description": "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.", 
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      "title": "ADVANCED MATERIALS", 
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    "publication_date": "2021-01-01", 
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    "title": "Giant and Reversible Barocaloric Effect in Trinuclear Spin-Crossover Complex Fe-3(bntrz)(6)(tcnset)(6)"
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