To fully understand the chemical structure of graphene oxide and the oxidation chemistry of sp2 carbon sites, we conducted a practical experiment and density functional theory combined study on the oxidation process of Graphite. The nuclear magnetic resonance, thermogravimetric analysis, and X-ray photoelectron spectroscopy results of unhydrolyzed oxidized Graphite indicate that the oxidation process involves the intercalating oxidation, where electrically neutral species is the oxidizing agent, and the diffusive-oxidation, where MnO3+ 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 frontier molecular orbital and density functional theories. Meanwhile, the two unique features of the oxidation process of Graphite, the chemical stability of oxygen-containing functional groups in the strong oxidizing medium and the self-regulation of the oxidation process, are theoretically reasoned. Carbon-based materials have played significant roles in defining the research and applications of nanoscience and nanotechnology. Their fabrication and functionalization have facilitated massive interdisciplinary research involving chemistry, physics, and materials. Oxidation is one of the most basic routes to manipulating carbon-based materials by functionalizing the chemically inert, sp2 hybridized carbon structure. To realize the desired functionalization of carbon-based materials, controlled oxidation reactions are critical to a low density of lattice defects during carbon evolution. With more than 160 years of synthesis history, graphite oxide (GO) fabrication is the most typical oxidation reaction of carbon-based materials. Various processes and oxidizing agents have been attempted to oxidize Graphite to synthesize GO with controlled chemical composition and properties. Nevertheless, the details of the chemical structure of GO and the oxidation chemistry of sp2 carbon sites have not been fully understood, which essentially hinders the success of the usage of the surface chemistry of GO and the correct acquaintance of the fundamental oxidation perspectives of carbon-based materials. If you are looking for high quality, high purity, and cost-effective Graphite, or if you require the latest price, please feel free to emaill contact mis-asia.