Adsorption of transition metal atoms (Co and Ni) on zigzag graphene nanoribbon

摘要

The geometry structures and electronic properties of zigzag graphene nanoribbon (ZGNR) with the adsorption of transition metal atoms (Co and Ni) are investigated by using the density functional theory. The calculated results show that the interaction between Ni atom and ZGNR are stronger than that between Co atom and ZGNR. It is found that the ZGNR with Co adatom adsorbing has more possibility to show the character from semiconducting to the half-metallic one than that of the ZGNR with Ni adatom adsorbing. It is hoped that it may be valuable for investigating the GNR-based electronic devices.