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- W2020660044 abstract "The geometrical structures and vibrational spectra of both the (4,4) single-walled silver nanotube and the stretched one-lattice-parameter-wide fcc Ag nanowire, found in a recent experiment [Nature Nanotechnology 4, 149 (2009)], have been investigated by the density-functional theory calculations within the generalized gradient approximation. It is found that there exist main differences between their vibrational spectra and corresponding Raman- and IR-active spectra. For example, 1) the Raman modes of the Ag tube span a wider frequency range than the Ag wire, and there is its characteristic radial breathing mode at 120 cm−1, in contrast to that of the Ag wire at 129 cm-1, showing also specifically different 1st-order resonant Raman spectra for both of them, which may be used for identifying accurately the Ag tube from the Ag wire in future experiment. 2) The IR modes of the (4,4) Ag tube span a narrower frequency range than the Ag wire, and its highest frequency IR mode lies at 168 cm−1, which is less than that of the stretched Ag wire, lying at about 182 cm−1." @default.
- W2020660044 created "2016-06-24" @default.
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- W2020660044 date "2011-07-15" @default.
- W2020660044 modified "2023-09-25" @default.
- W2020660044 title "Vibrational properties between silver (4,4) nanotube and nanowire" @default.
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- W2020660044 doi "https://doi.org/10.1063/1.3608113" @default.
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