Effects of pressure on the structural and electronic properties of linear carbon chains encapsulated in double wall carbon nanotubes
| Autor: | Rafael S. Alencar, N. F. Andrade, R.S. Ferreira, Hisakazu Muramatsu, A. L. Aguiar, W.Q. Neves, Yoong Ahm Kim, Alfonso San-Miguel, A.C. Torres-Dias, Doo Won Kim, Morinobu Endo, A. G. Souza Filho |
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| Přispěvatelé: | Instituto Federal de Educação Ciência e Tecnologia do Cearà, Universidade Federal do Ceará = Federal University of Ceará (UFC), Departamento de Física, Campus Ministro Petrônio Portella Bloco 03, Universidade Federal do Piauí, Universidade Federal do Piauí, Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Chonnam National University [Gwangju], Shinshu University [Nagano] |
| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
[PHYS]Physics [physics]
Nanotube Materials science Resonance 02 engineering and technology General Chemistry Carbon nanotube 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences law.invention Bond length symbols.namesake [SPI]Engineering Sciences [physics] Chemical physics law symbols [CHIM]Chemical Sciences General Materials Science Density functional theory Tube (fluid conveyance) 0210 nano-technology Raman spectroscopy Softening |
| Zdroj: | Carbon Carbon, Elsevier, 2018, 133, pp.446-456. ⟨10.1016/j.carbon.2018.01.084⟩ |
| ISSN: | 0008-6223 |
| DOI: | 10.1016/j.carbon.2018.01.084⟩ |
| Popis: | International audience; High-pressure resonance Raman experiments were performed on linear carbon chains Cn confined in double-wall carbon nanotubes (Cn@DWCNT). Our results indicate that the frequency of the chain mode undergoes a non-linear decreasing as pressure increases, in agreement with previous studies of the behavior of carbon chains into multi-wall carbon nanotubes. After the pressure cycle, the Cn modes present an irreversible frequency downshift together with an irreversible upshift (downshift) of the RBM modes (G+ band) of the inner tube. These spectral changes are interpreted as evidence of cross-linking between the carbon chain and the wall of the inner tube. Density functional theory (DFT) calculations were performed in order to shed light on the interpretation of the experimental data. The theoretical calculations show a pressure-induced charge transfer from the nanotube to the carbon chain, thus resulting in an increasing of the C≡C bond length, and consequently, a softening frequency of the Cn Raman mode. Furthermore, an irreversible cross-linking between the tube and Cn is observed when the maximum applied pressure is higher than the pressure of radial tube collapse is predicted by modelling, thus supporting the experimental results. |
| Databáze: | OpenAIRE |
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