• 文献标题:   Graphene Oxyhydride Catalysts in View of Spin Radical Chemistry
  • 文献类型:   Article
  • 作  者:   SHEKA EF
  • 作者关键词:   spin carbocatalysi, graphene molecule, molecular stable radical, active sites of catalysi, graphene oxyhydride, graphene oxynitrothiohydride
  • 出版物名称:   MATERIALS
  • ISSN:  
  • 通讯作者地址:   Peoples Friendship Univ Russia
  • 被引频次:   2
  • DOI:   10.3390/ma13030565
  • 出版年:   2020

▎ 摘  要

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.