Peoples' Friendship University of Russia, Moscow, 117198 Russia.
Phys Chem Chem Phys. 2013 Aug 28;15(32):13304-22. doi: 10.1039/c3cp00032j.
Applied to graphene oxide, the molecular theory of graphene considers its oxide as a final product in the succession of polyderivatives related to a series of oxidation reactions involving different oxidants. The graphene oxide structure is created in the course of a stepwise computational synthesis of polyoxides of the (5,5) nanographene molecule governed by an algorithm that takes into account the molecule's natural radicalization due to the correlation of its odd electrons, the extremely strong influence of the structure on properties, and a sharp response of the molecule behavior on small actions of external factors. Taking these together, the theory has allowed for a clear, transparent and understandable explanation of the hot points of graphene oxide chemistry and suggesting reliable models of both chemically produced and chemically reduced graphene oxides.
应用于氧化石墨烯，石墨烯的分子理论将其氧化物视为一系列涉及不同氧化剂的氧化反应的多衍生物的连续过程中的最终产物。氧化石墨烯结构是在（5,5）纳米石墨烯分子的多氧化物的逐步计算合成过程中创建的，该合成过程由一个算法控制，该算法考虑到了由于其奇数电子的相关性而导致的分子的自然自由基化、结构对性质的极强影响以及分子行为对外部因素的微小作用的急剧反应。综上所述，该理论对氧化石墨烯化学的热点问题进行了清晰、透明和易懂的解释，并提出了化学合成和化学还原氧化石墨烯的可靠模型。
