ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

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

Ruslan Yamaletdinov

Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia

E-mail: ruslan712@gmail.com

Received: 17 August 2022  Accepted: 24 December 2022

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 NO\(_2\) is unable to form a covalent bond with bare graphene, it becomes possible in some structures of hydrogenated graphane, fluorographene, and graphene oxide. This paper presents, among others, an analysis of the surrounding influence on the C-NO\(_2\) bond strength. The author believes that the potential prospects of these materials and discussion about possible synthesizing routes may help further research on graphene-based materials.

Keywords: Graphene; NO2; Nitro graphene; Gas sensors; Graphene derivatives

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-022-02649-4

Chemical Papers 77 (5) 2605–2610 (2023)