Colossal barocaloric effects in the complex hydride Li$$_{2}$$B$$_{12}$$H$$_{12}$$
نویسندگان
چکیده
Abstract Traditional refrigeration technologies based on compression cycles of greenhouse gases pose serious threats to the environment and cannot be downscaled electronic device dimensions. Solid-state cooling exploits thermal response caloric materials changes in applied external fields (i.e., magnetic, electric and/or mechanical stress) represents a promising alternative current methods. However, most known date present relatively small adiabatic temperature ( $$|\Delta T| \sim 1$$ | ? T ? 1 10 K) limiting irreversibility issues resulting from significant phase-transition hysteresis. Here, we predict by using molecular dynamics simulations existence colossal barocaloric effects induced pressure (isothermal entropy S| 100$$ S 100 J K $$^{-1}$$ - kg ) energy material Li $$_{2}$$ 2 B $$_{12}$$ 12 H . Specifically, estimate = 367$$ = 367 43$$ 43 for shift P 0.1 GPa at $$T 480$$ 480 K. The disclosed are originated fairly reversible order–disorder phase transformation involving coexistence $$^{+}$$ + diffusion (BH) $$_{12}^{-2}$$ reorientational motion high temperatures.
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2021
ISSN: ['2045-2322']
DOI: https://doi.org/10.1038/s41598-021-91123-4