Periodic Reporting for period 1 - MolCal (Molecule-based magneto/electro/mechano-Calorics)
Période du rapport: 2024-01-01 au 2025-12-31
MolCal was conceived to tackle one of Europe’s most pressing energy challenges: the need for sustainable, efficient refrigeration and heat pump technologies. Today, vapour-compression systems dominate the market, but they rely on greenhouse gases and have reached the limits of efficiency mprovements. MolCal proposes a radically different approach based on molecule-driven caloric materials—systems that change temperature and entropy when exposed to magnetic, electric, or mechanical stimuli.These materials promise compact, energy-efficient devices that can operate both near ambient temperature and at cryogenic conditions. The project aims to design and synthesize new molecular assemblies, explore their magnetocaloric, electrocaloric, and mechanocaloric properties, and integrate them into prototype devices. At the same time, MolCal is training a new generation of researchers through a multidisciplinary programme that combines chemistry, physics, materials science, and engineering, ensuring that Europe remains at the forefront of innovation in solid-state cooling.
During the first reporting period, the consortium concentrated on laying the groundwork for the network and launching its research activities. All ten doctoral candidates (two of them based in the UK and recruited under the ‘UKRI-HE guarantee’ scheme) joined the programme and were enrolled in their respective PhD tracks. The governance structure was put in place, and the project website and communication channels were established to ensure smooth coordination.
On the scientific side, progress has been substantial. New molecular magnets were synthesized, including the first magnetocaloric films produced within the project, marking an important step toward miniaturized cooling technologies. Hybrid halide perovskites and metal-organic frameworks were developed for barocaloric studies, while liquid crystal elastomers were formulated for mechanocaloric applications. Spin-crossover compounds and organic-ionic plastic crystals were also introduced as promising candidates for pressure-driven caloric effects. To support these efforts, experimental setups were upgraded to enable direct caloric measurements under variable fields and pressures, and protocols for thin-film deposition and processing of elastomeric elements were initiated.
The scientific output is already visible: three papers on magnetic molecules have been published, and another two manuscripts have recently been submitted. Alongside research, the training programme was launched with courses on Open Science, machine learning for materials design, and specialized workshops on caloric materials and measurement techniques. Dissemination activities began early, with the creation of the MolCal web portal, the release of newsletters, and participation in public science events, ensuring that the project gained visibility and engagement from the start.
On the scientific side, progress has been substantial. New molecular magnets were synthesized, including the first magnetocaloric films produced within the project, marking an important step toward miniaturized cooling technologies. Hybrid halide perovskites and metal-organic frameworks were developed for barocaloric studies, while liquid crystal elastomers were formulated for mechanocaloric applications. Spin-crossover compounds and organic-ionic plastic crystals were also introduced as promising candidates for pressure-driven caloric effects. To support these efforts, experimental setups were upgraded to enable direct caloric measurements under variable fields and pressures, and protocols for thin-film deposition and processing of elastomeric elements were initiated.
The scientific output is already visible: three papers on magnetic molecules have been published, and another two manuscripts have recently been submitted. Alongside research, the training programme was launched with courses on Open Science, machine learning for materials design, and specialized workshops on caloric materials and measurement techniques. Dissemination activities began early, with the creation of the MolCal web portal, the release of newsletters, and participation in public science events, ensuring that the project gained visibility and engagement from the start.
MolCal is already pushing the boundaries of what is possible in caloric research. The integration of molecule-based materials into this field is unprecedented, combining chemical modularity with functional caloric properties. The project is exploring multicaloric strategies, where magnetic, electric, and mechanical effects can be cross-correlated within the same material system. Advanced architectures such as two-dimensional and three-dimensional hybrid perovskites and metal-organic frameworks are being tailored for strong caloric responses, while liquid crystal elastomers are paving the way for elastocaloric devices. Prototype concepts are emerging, including on-chip microrefrigerators that exploit molecular magnetocaloric refrigerants, expected to outperform current sub-Kelvin technologies. MolCal is also implementing direct caloric measurements under realistic operating conditions, a significant step forward compared to traditional indirect methods, ensuring accurate determination of temperature and entropy changes.