▎ 摘　　要

Generating magnetism in graphene is essential to the development of graphene-based spintronics. By using first-principles calculation methods, we propose a new scheme based on the non-covalent pi-pi stacking with vanadium (V)-based molecular nanomagnets, e.g. V(m)Bz(n) (m = 1-2, n = 1-3), to engineer some hybrid structures of graphene/V-based molecular nanomagnets. It was first found that stable adsorbed configurations of V-based molecular magnets on graphene can be realized due to pi-pi interaction. Magnetic moments of these molecular magnets are preserved and, especially for the hybrid graphene/V(2)Bz(3) system, the ferromagnetic state is largely stabilized compared with V(2)Bz(3). More importantly, the unique linear dispersion of the charge carriers is also perfectly preserved in the hybrid graphene/V-based molecular nanomagnets systems. This study provides a new method to realize ferromagnetic graphene and preserve its extraordinary properties. It is expected that the non-covalent pi-pi stacking by V(m)Bz(n) adsorbed on graphene will provide a promising way to precisely tailor the electronic properties and magnetic properties of graphene suitable for future application in nanoelectronics and spintronic devices.