On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide

Abstract

Here, the possibility of the existence of nitro-graphene derivatives with undisturbed graphene backbone is considered. Based on the first-principles calculation, it is shown that while NO2 is unable to form a covalent bond with bare graphene, it becomes possible in some structures of graphane, fluorographene, and graphene oxide. This paper presents, among others, an analysis of the surrounding influence on the C-NO2 bond strength. The author believes, that potential prospects of these materials and discussion about possible synthesizing routes may help further research on graphene-based materials.