Graphene Oxyhydride Catalysts in View of Spin Radical Chemistry

• Main Author: Elena F. Sheka
• Format: Article
• Language: English
• Published: MDPI AG 2020-01-01
• Series: Materials
• Subjects: spin carbocatalysis; graphene molecules; molecular stable radicals; active sites of catalysis; graphene oxyhydrides; graphene oxynitrothiohydrides
• Online Access: https://www.mdpi.com/1996-1944/13/3/565

This article discusses carbocatalysis that are provided with amorphous carbons. The discussion is conducted from the standpoint of the spin chemistry of graphene molecules, in the framework of which the amorphous carbocatalysts are a conglomerate of graphene-oxynitrothiohydride stable radicals presenting the basic structure units (BSUs) of the species. The chemical activity of the BSUs atoms is reliably determined computationally, which allows mapping the distribution of active sites in these molecular catalysts. The presented maps reliably show the BSUs radicalization provided with carbon atoms only, the nonterminated edge part of which presents a set of active sites. Spin mapping of carbocatalysts active sites is suggested as the first step towards the spin carbocatalysis of the species.