▎ 摘　　要

First-principles calculations based on density functional theory were carried out to study the effects of monovacancy and boron doping on Si adsorption on graphene. We found that Si single atom, sitting above the bridge site of defect-free graphene, was the most stable configuration. The spin properties of the C atoms change after Si adsorption. In our calculations, monovacancy and substituting with B atoms enhanced Si adsorption on graphene and monovacancy was more effective than the B dopant. No magnetic moment was observed for the Si adsorbed on these two systems. B doping induces a stable Si adsorption position from the bridge site to the top site and increases the conductivity of the graphene system. By comparison, B doping in the graphene system is relatively stable while the monovacancy system is not.