Molecular theory of graphene oxide

Elena F. Sheka; Nadezhda A. Popova

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Molecular theory of graphene oxide

机译：氧化石墨烯的分子理论

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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.

机译：应用于石墨烯氧化物时，石墨烯的分子理论认为其氧化物是与一系列涉及不同氧化剂的氧化反应有关的一系列多衍生物的最终产物。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，该合成过程受一种算法控制，该算法考虑了由于其奇数电子的相关性而导致的分子自然自由基化，这是非常强烈的影响结构对性能的影响，以及分子行为对外部因素的微小作用的尖锐响应。综上所述，该理论为石墨烯氧化物化学的热点提供了清晰，透明和可理解的解释，并提出了化学生产和化学还原的石墨烯氧化物的可靠模型。

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《Physical chemistry chemical physics: PCCP》 |2013年第32期|共19页
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Elena F. Sheka; Nadezhda A. Popova;
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7. Molecular theory of graphene oxide [O] . Sheka, Elena F., Popova, Nadezhda A. 2012

机译：氧化石墨烯的分子理论

Molecular theory of graphene oxide

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