Determination of the inner diameter of a double-walled carbon nanotube from its Raman spectra

Basirjafari, Sedigheh; Khadem, Siamak Esmaielzadeh; Malekfar, Rasoul

doi:10.1063/1.4790162

Cited by 4 publications

(2 citation statements)

References 32 publications

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“…For DWNTs with a weak coupling, Raman spectra closely resemble a combination of the spectra of the individual tubes. ,, The diameter dependence of the RBM leads to a number of low frequency peaks, stemming from both the inner and the outer tubes, as they are characterized by different diameters (Figure ). Additional low-frequency peaks might be attributed to a special case of RBM, the bundling mode.…”

Section: Results and Discussionmentioning

confidence: 96%

Time-Domain Ab Initio Simulation of Energy Transfer in Double-Walled Carbon Nanotubes

2015

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The exact mechanism of photoinduced hot exciton relaxation in semiconducting double-walled carbon nanotubes (DWNTs) is impossible to determine based solely on the results of the time-resolved spectroscopy. While optical transitions can be resolved with a high accuracy, dark and charge transfer states remain undetected. The time-dependent density functional theory combined with nonadiabatic molecular dynamics simulation allows us to take into account all the possible relaxation pathways, including dipoleforbidden dark and charge transfer states. We show that exciton energy transfer in semiconducting DWNTs strongly depends on geometry fluctuation of the comprising tubes. Driven by low-frequency, radial breathing modes, it affects the relative alignment of energy levels, leads to level crossings, and opens new relaxation channels. Our simulations indicate that crossover transitions and charge transfer states affect the energy transfer dynamics in DWNTs, and largely govern the transfer rates in the system. These findings should be applicable to other nanoscale systems.

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Section: Results and Discussionmentioning

confidence: 96%

Time-Domain Ab Initio Simulation of Energy Transfer in Double-Walled Carbon Nanotubes

2015

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“…The inner and outer layers of a DWCNT can be either metallic (M) or semiconducting (S), forming four possible configurations, M@M, M@S, S@M and S@S, where the first and second letters denote the inner and outer tubes, respectively . As in the case of SWCNTs, Raman spectroscopy has been demonstrated to be a highly useful method to characterize DWCNTs . Two spectral ranges are of interest.…”

Section: Introductionmentioning

confidence: 99%

Anti‐Stokes Raman spectroscopy as a method to identify the metallic and semiconducting configurations of double‐walled carbon nanotubes

Baibarac

Baltog

Matea

et al. 2014

J Raman Spectroscopy

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Although Raman spectra reveal, as a signature of double-walled carbon nanotubes (DWCNTs), two radial breathing mode (RBM) lines associated with the inner and outer tubes, the specification of their nature as metallic or semiconducting remains a topic for debate. Investigating the spectral range of the RBM lines, we present a new procedure of the indexing of the semiconducting or metallic nature of the inner and outer shell that forms the DWCNT. The procedure exploits the difference between the intensities of recorded anti-Stokes Raman spectrum and the anti-Stokes spectrum calculated by applying the Boltzmann formulae to the recorded Stokes spectrum. The results indicate that the two spectra do not coincide with what should happen in a normal Raman process, namely, that there are RBM lines of the same intensity in both spectra, as well as RBM lines of higher intensity that are observed in the calculated spectrum. This discrepancy results from the surface-enhanced Raman scattering mechanism that operates differently on metallic or semiconducting nanotubes. In this context, the analysis of the RBM spectrum can reveal pairs of lines associated with the inner/outer shell structure of DWCNT, and when the intensities between the recorded and calculated spectra coincide, the nanotube is metallic; otherwise, the nanotube is semiconducting.

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Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials

Tailor

Wheatley

Besley

2018

Phys. Chem. Chem. Phys.

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Determination of the inner diameter of a double-walled carbon nanotube from its Raman spectra

Cited by 4 publications

References 32 publications

Time-Domain Ab Initio Simulation of Energy Transfer in Double-Walled Carbon Nanotubes

Time-Domain Ab Initio Simulation of Energy Transfer in Double-Walled Carbon Nanotubes

Anti‐Stokes Raman spectroscopy as a method to identify the metallic and semiconducting configurations of double‐walled carbon nanotubes

Simulation of the Raman spectroscopy of multi-layered carbon nanomaterials

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