▎ 摘　　要

By using the first-principles calculations, geometric, electronic, and magnetic properties of metallocene deposited on graphene are systematically investigated. Among all the metallocenes studied, only cobaltocene exhibits obvious charge transfer. Relatively delocalized e(1) orbitals of cobaltocene are responsible for n-type doping of graphene or nanoribbons, as well as for the spin-polarized current along the cobaltocene chains. We also propose that, based on our total energy calculations, cobaltocenemay be used as a sensor to detect pentagonal defects in graphene by taking advantage of the rotation of cobaltocene's axis when located above pentagonal defects.