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.
@article{arxiv.2008.04749,
title = {On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide},
author = {Ruslan Yamaletdinov},
journal= {arXiv preprint arXiv:2008.04749},
year = {2020}
}