Bandgap Study of Defect Induced Graphene Structures

Abstract

Graphene is considered as one of the most significant 2-D materials. However, the zero-bandgap property of pristine graphene restricts its use as semi-conductor material. Hence, introducing defect in the graphene structure can produce an appreciable band-gap that can be utilized in semiconducting industry. In this work, band-structure and density of states (DOS) of graphene and its various defect induced structures are studied by employing density functional theory (DFT) method using the BURAI GUI of Quantum ESPRESSO.