Adsorption of fluoride Quinone a grapheneflake: A theorical study

Quinones are oxidized derivatives of aromatic compounds and are often readily made from reactive aromatic compoundswith electron-donating substituents such as phenols and catechols, which increase the nucleophilicity of the ring. The termquinone is also used more generally for a large class of compounds formally derived from aromatic quinones through thereplacement of some hydrogen atoms by other atoms or radicals. Considering the importance of quinone and the type ofsubstitution placed on quinone, in this article, the thermodynamic parameters and electromotive force of ۵ structures offluorinated quinone derivatives on graphene nanostructure were investigated by density function method, and the resultsshowed that the values of these parameters depend on substitution type. It means that as the number of fluorine substitutionsincreases, the values of thermodynamic parameters also increase.

کلیدواژه ها:

Oxidation and reduction potential ، graphene ، quinone ، functional group ، electrochemistry