A first principle study of structural and electronic properties of graphene monolayer with vacancies

In this article we report the structural stability and electronic properties of graphene containing mono-atomic and di-atomic vacancy within the framework of Density Functional Theory (DFT). On studying different nanostructures, we find that the ballistic conductance increases to 2G0 in graphene nanostructure containing mono-atomic vacancy, and 4G0 in nanostructure with random di-atomic vacancy. Thus, vacancies in graphene monolayer could play a key role in widening the applications of pristine graphene in the field of electronics and optoelectronics.