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• W3104697115 startingPage "175302" @default.
• W3104697115 abstract "It is shown, by DFT calculations, that the uniform functionalization of upper layer of graphite by hydrogen or fluorine does not change essentially its bonding energy with the underlying layers, whereas the functionalization by phenyl groups decreases the bonding energy by a factor of approximately ten. This means that the functionalized monolayer in the latter case can be easily separated by mild sonication. According to our computational results, such layers can be cleaned up to pure graphene, as well as functionalized further up to 25% coverage, without essential difficulties. The energy gap within the interval from 0.5 to 3 eV can be obtained by such one-side funtionalization using different chemical species." @default.
• W3104697115 created "2020-11-23" @default.
• W3104697115 creator A5076142044 @default.
• W3104697115 creator A5089610449 @default.
• W3104697115 date "2010-04-15" @default.
• W3104697115 modified "2023-09-25" @default.
• W3104697115 title "A new route towards uniformly functionalized single-layer graphene" @default.
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• W3104697115 doi "https://doi.org/10.1088/0022-3727/43/17/175302" @default.
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