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Ferromagnetism is the collective alignment of atomic spins that retain a net magnetic moment below the Curie temperature, even in the absence of external magnetic fields. Reducing this fundamental property into strictly two-dimensions was proposed in metal-organic coordination networks, but thus far has eluded experimental realization. In this work, we demonstrate that extended, cooperative ferromagnetism is feasible in an atomically thin two-dimensional metal-organic coordination network, despite only ≈ 5% of the monolayer being composed of Fe atoms. The resulting ferromagnetic state exhibits an out-of-plane easy-axis square-like hysteresis loop with large coercive fields over 2 Tesla, significant magnetic anisotropy, and persists up to T C  ≈ 35 K. These properties are driven by exchange interactions mainly mediated by the molecular linkers. Our findings resolve a two decade search for ferromagnetism in two-dimensional metal-organic coordination networks., (© 2024. The Author(s).)

Using first-principles calculations based on density functional theory (DFT), we study the aluminum fluoride (AlF 3 ) intercalation in graphite as a new possibility to use this molecule in rechargeable batteries, and understand its role when used as a component of the solvent. We discuss the most stable configuration of the AlF 3 molecule in graphite for stage-2 and stage-1 and the diffusion study of the molecule, the migration pathways and the energy barriers. Our results show an average voltage of 3.18 V for stage-2 and 3.44 V for stage-1, which is excellent for anion intercalated batteries. Furthermore, low diffusion energy barriers of the AlF 3 intercalant molecules were found (the lowest diffusion energy barrier was 0.17 eV with a diffusion constant in the order of 10 -5 cm 2 s -1 ), which could lead to fast (dis)charging of a battery based on AlF 3 . The present study provides important information to understand the intercalation mechanism of AlF 3 graphite layer electrodes, thus encouraging more experimental studies of this system.