Fe atoms are successfully isolated at various C, N, O, Cl, S and F shells in graphene to preserve the high-spin state.
The graphene embedding with the Fe3/F6 core/shell cluster has a large magnetic moment for 7.24 μB.
The Curie temperature of Fe2/Cl4 and Fe2/S4 core/shell systems are about = 475 K and 479 K, respectively.