Pyridine-type defects in graphene: Stability, reactivity and electronic property

Lattice defects such as atomic vacancies and impurities can substantially modify the electronic properties of a graphene sheet and the graphene decorated with such defects is therefore expected to exhibit novel physical and chemical properties. The pyridine-type defect in graphene, which consists of nitrogen-vacancy complexes, have received much attention from the viewpoints of fundamental nanoscience and applicable nanotechnology since they could provide various applications such as field effect transistors, energy storages and gas sensors. We present in this review the formation, the stability, the reactivity, and the electronic property of the pyridine-type defects in graphene on the basis of a first-principles electronic-structure study within the framework of the density-functional theory. We examine the plausible pyridine-type nitrogen-defect formation in graphene and discuss the energetics associated with the growth processes of the pyridine-type defects in graphene. We also examine adsorption effects of several molecules on energetic stabilities of the pyridine-type defects.