| Abstract Scope |
Magnetocaloric materials are appealing energy materials that exhibit promising potential in solid-state cooling technologies. Leveraging their first-order phase transitions, scientists have developed a few promising candidates through extensive efforts.1 Nevertheless, despite numerous experimental studies, theoretical calculations on chemical bonding and thermodynamic calculations remain scarce.
In this contribution, we have demonstrated the power of chemical bonding analysis and thermochemistry to understand the stability and properties of selected systems. For MnCoGe-based materials,2 we tuned chemical bonds to tame structural transition for a large magnetocaloric effect and got inspired for a new phase.3 Moreover, we similarly examined the effects of hydrogen on the structure and magnetic properties of La(Fe,Si)13Hx hydride and calculated its thermodynamic properties.
References
(1) Zhang, F.; et al. Adv. Energy Mater. 2024, 14 (21), 2400369.
(2) Wang, Y.; et al. Chem. Mater. 2020, 32 (15), 6721–6729.
(3) Wang, Y.; et al. 2025, submitted to Nature Mater. |