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Vibrational properties of graphene nanoribbons by first-principles calculations
We investigated the vibrational properties of graphene nanoribbons by means of first-principles calculations on the basis of density-functional theory. We confirm that the phonon modes of graphene nanoribbons with armchair- and zigzag-type edges can be interpreted as fundamental oscillations and their overtones. These show a characteristic dependence on the nanoribbon …