Computer simulation and experimental study of graphane-like structures formed by electrolytic hydrogenation

Graphene and few-layer graphene flakes hydrogenated up to various levels were produced by mechanical exfoliation of multilayer highly oriented pyrolytic graphite preliminary doped with hydrogen in electrolytic cell. Raman spectroscopy and atomic force microscopy examinations show the essential contribution of hydrogenated state. The Raman spectra also show the correlation between the time of hydrogenation and the amplitudes of the peaks, related to “graphane-like” state. Computer simulation and quantum–mechanical calculations were used for theoretical characterization of the graphane-like structures.

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► For the first time graphane-like structures were produced by electrolytic hydrogenation of graphene and graphite.
► Computer simulation of graphene hydrogenated was performed and possible configurations, in particular “graphane's shell”, were studied.
► Raman spectra show the correlation between the time of hydrogenation and the amplitude of the D peak (1358 cm−1).
► Data of Raman spectroscopy revealed good correlation between the amplitudes of the D and E peaks for specimens, hydrogenated to different levels.