Magnetic Coupling Induced Self-Assembly at Atomic Level

Developing accurate self-assembly is the key for constructing functional materials from a bottom-up approach. At present, it is mainly hindered by building blocks and driving modes. We design a new self-assembly method based on the magnetic coupling between spin-polarized electrons. First-principles calculations show that spin-polarized electrons from different endohedral metallofullerene (EMF) superatoms can pair each other to ensure a one-dimensional extending morphology. Furthermore, without ligand passivation, the EMF superatoms maintain their electronic structures robustly in self-assembly owing to the core-shell structure and the atomic-like electron arrangement rule. Therefore, it should noted that the magnetic coupling of monomeric electron spin polarization can be an important driving mechanism for high-precision self-assembly. These results represent a new paradigm for self-assembly and offer fresh opportunities for functional material construction at the atomic level.