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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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{
  "DOI": "10.1002/adma.202008076", 
  "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.", 
  "author": [
    {
      "family": "Romanini", 
      "given": " Michela"
    }, 
    {
      "family": "Wang", 
      "given": " YiXu"
    }, 
    {
      "family": "Gurpinar", 
      "given": " Kubra"
    }, 
    {
      "family": "Ornelas", 
      "given": " Gladys"
    }, 
    {
      "family": "Lloveras", 
      "given": " Pol"
    }, 
    {
      "family": "Zhang", 
      "given": " Yan"
    }, 
    {
      "family": "Zheng", 
      "given": " Wenkai"
    }, 
    {
      "family": "Barrio", 
      "given": " Maria"
    }, 
    {
      "family": "Aznar", 
      "given": " Araceli"
    }, 
    {
      "family": "Gracia-Condal", 
      "given": " Adria"
    }, 
    {
      "family": "Emre", 
      "given": " Baris"
    }, 
    {
      "family": "Atakol", 
      "given": " Orhan"
    }, 
    {
      "family": "Popescu", 
      "given": " Catalin"
    }, 
    {
      "family": "Zhang", 
      "given": " Hu"
    }, 
    {
      "family": "Long", 
      "given": " Yi"
    }, 
    {
      "family": "Balicas", 
      "given": " Luis"
    }, 
    {
      "family": "Lluis Tamarit", 
      "given": " Josep"
    }, 
    {
      "family": "Planes", 
      "given": " Antoni"
    }, 
    {
      "family": "Shatruk", 
      "given": " Michael"
    }, 
    {
      "family": "Manosa", 
      "given": " Lluis"
    }
  ], 
  "container_title": "ADVANCED MATERIALS", 
  "id": "235424", 
  "issue": "10", 
  "issued": {
    "date-parts": [
      [
        2021, 
        1, 
        1
      ]
    ]
  }, 
  "title": "Giant and Reversible Barocaloric Effect in Trinuclear Spin-Crossover Complex Fe-3(bntrz)(6)(tcnset)(6)", 
  "type": "article-journal", 
  "volume": "33"
}
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