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- W2770291969 abstract "Calculations of the structure and electronic properties for five structural variations of graphane were performed within the framework of density functional theory (DFT) with generalized gradient approximations (GGA). The electron densities of states and band structure of graphene crystals have been calculated. It has been established that the band gap for graphane polymorphs varies from 5.50 eV to 5.65 eV. Sublimation energy of graphane layers with different structure was varying from 11.33 to 11.48 eV per C-H molecular group." @default.
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- W2770291969 date "2017-11-01" @default.
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- W2770291969 title "Structure of graphane polymorphs" @default.
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- W2770291969 doi "https://doi.org/10.1088/1742-6596/917/3/032015" @default.
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