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Graphene Fluoride: A Stable Stoichiometric Graphene Derivative and its Chemical Conversion to Graphene

机译:氟化石墨烯:稳定的化学计量的石墨烯衍生物及其化学转化成石墨烯

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摘要

Stoichoimetric graphene fluoride monolayers are obtained in a single step by the liquid-phase exfoliation of graphite fluoride with sulfolane. Comparative quantum-mechanical calculations reveal that graphene fluoride is the most thermodynamically stable of five studied hypothetical graphene derivatives; graphane, graphene fluoride, bromide, chloride, and iodide. The graphene fluoride is transformed into graphene via graphene iodide, a spontaneously decomposing intermediate. The calculated bandgaps of graphene halides vary from zero for graphene bromide to 3.1 eV for graphene fluoride. It is possible to design the electronic properties of such two-dimensional crystals.
机译:化学计量的氟化石墨烯单层是通过将氟化石墨与环丁砜液相剥离而在一个步骤中获得的。比较的量子力学计算表明,氟化石墨烯是五个研究的假设的石墨烯衍生物中最热力学稳定的。石墨烯,氟化石墨烯,溴化物,氯化物和碘化物。氟化石墨烯通过碘化石墨烯(自发分解的中间体)转变为石墨烯。卤化石墨烯的计算带隙从溴化石墨烯的零到氟化石墨烯的3.1 eV不等。可以设计这种二维晶体的电子性质。

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