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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
{ "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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