Revisiting the Oxidation of Graphite: Reaction Mechanism, Chemical Stability, and Structure Self-Regulation
Chang Li, Xi Chen, Liming Shen, Ningzhong Bao
Abstract
is the oxidizing agent. An intrinsic formation and conversion path of oxygen-containing functional groups is proposed based on the experimental results and further interpreted with the aid of frontier molecular orbital theory and density functional theory. Meanwhile, the two unique features of the oxidation process of graphite, the chemistry stability of oxygen-containing functional groups in the strong oxidizing medium, and the self-regulation of the oxidation process are theoretically reasoned.
Topics & Concepts
Oxidizing agentDensity functional theoryOxidation processGraphiteX-ray photoelectron spectroscopyThermogravimetric analysisGrapheneChemistryOxideChemical engineeringOxygenGraphite oxideCarbon fibersInorganic chemistryMaterials scienceComputational chemistryOrganic chemistryNanotechnologyComposite materialComposite numberEngineeringGraphene research and applicationsAdvancements in Battery MaterialsGraphite, nuclear technology, radiation studies