Radial collapse of carbon nanotubes without and with Stone–Wales defects under hydrostatic pressure

Ling, Cuicui; Chu, Libing; Jing, Nuannuan; Zhou, Xiaoyan

doi:10.1039/c2ra21581k

Cited by 12 publications

(22 citation statements)

References 34 publications

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“…Similar mode softening (S1,i > S2,i) of three intense Raman active bands with increasing pressure have been observed for poly-paraphenylene. 46 A mixed trend with some pressure coefficients are increasing while others are decreasing with increasing pressure was observed also for linear oligoparaphenylenes 47,48 and for SWCNTs 38,39,40,41,49 . This effect is to a large extent due to the fact that different normal modes are affected differently by pressure induced deformations.…”

Section: Resultsmentioning

confidence: 74%

“…This effect is especially noticeable for the CC stretches, the so called "G" modes of CNTs. 38,39,40,41 The second most significant spectral signature related to the deformation of CNTs upon pressure is the disappearance of Raman bands due to the radial breathing modes. 41,42 In this paper, we will study the i/P coefficients at pressures below and above the ovalization pressure, referred as S1,i and S2,i, respectively.…”

Section: Resultsmentioning

confidence: 99%

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Molecules under Pressure: The Case of [n]Cycloparaphenylenes

et al. 2018

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High pressures in the 0-10 GPa range cause molecules to deform in unusual ways. A series of precisely defined carbon nanohoops consisting of n para-linked phenyl groups, [n]cycloparaphenylenes ([n]CPPs, n=7, 8, 9, 10, and 12) were studied in this pressure range using Raman spectroscopy and Density Functional Theory (DFT), and compared with more rigid smaller 5-and [6]CPPs and with the longer carbon nanotubes. The presented analysis sheds light on the different responses to pressure depending on the nanohoop size. Surprisingly, the pressure coefficients, the rate of the Raman shifts as a function of pressure, change at a particular pressure which is characteristic of each [n]CPP. We identified this pressure as the beginning of ovalization of the nanohoops in analogy to carbon nanotubes. This pressure induced ovalization is reversible in the range of pressure studied for [n]CPPs with n=7, 9, 10, and 12. In the case of [8]CPP, we find a metastable conformation at 8 GPa with significantly changed dihedral angles of adjacent phenyls. This high pressure molecular phase of [8]CPP provides an example for a new mechanism of irreversibility involving different conformations upon high pressure treatment. Modeling provided atomic level insights into the changes of conformations and the development of aromatic vs quinonoid structures as a function of pressure.

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Section: Resultsmentioning

confidence: 74%

Section: Resultsmentioning

confidence: 99%

Molecules under Pressure: The Case of [n]Cycloparaphenylenes

et al. 2018

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“…This difference may be caused by the easiness in deformation of SWNTs. Zhou et al used molecular mechanics and molecular dynamics simulations to investigate the effects of chirality on the radial collapse and elasticity of SWNTs . It is found that for tubes with similar diameter, ac‐SWNT is more rigid than the zz‐SWNT.…”

Section: Resultsmentioning

confidence: 99%

Deformation of single‐walled carbon nanotubes by interaction with graphene: A first‐principles study

Wang

Yang

et al. 2015

J Comput Chem

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The interaction between single-walled carbon nanotubes (SWNTs) and graphene were studied with first-principles calculations. Both SWNTs and single-layer graphene (SLG) or double-layer graphene (DLG) display more remarkable deformations with the increase of SWNT diameter, which implies a stronger interaction between SWNTs and graphene. Besides, in DLG, deformation of the upper-layer graphene is less than in SLG. Zigzag SWNTs show stronger interactions with SLG than armchair SWNTs, whereas the order is reversed for DLG, which can be interpreted by the mechanical properties of SWNTs and graphene. Density of states and band structures were also studied, and it was found that the interaction between a SWNT and graphene is not strong enough to bring about obvious influence on the electronic structures of SWNTs.

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“…It is also known that defects in CNTs affect the flattening of CNTs. Ling et al 19 reported in their theoretical study that Stone-Wales defects stabilize flattening of armchair SWCNTs, while the defects inhibit the flattening of zigzag SWCNTs. Choi et al 20 investigated flattening of MWCNTs by sonication experimentally and found that defective MWCNTs did not become flattened even after longtime sonication to the contrary, in which they did not identify the structure of defects.…”

Section: Resultsmentioning

confidence: 99%

Chains of Carbon Nanotetrahedra/Nanoribbons

Kohno

Hasegawa

2015

Sci Rep

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Flattening of a carbon nanotube results in the formation of a carbon nanoribbon with well-defined edges. In addition, a switching of the flattening direction by about a right angle yields a carbon nanotetrahedron at the switching point in a nanoribbon. Here, we report that chains of carbon nanotetrahedra/nanoribbons are formed via sequential switching of the flattening direction of multiwalled carbon nanotubes, in which neighboring two nanotetrahedra are connected by a short nanoribbon, namely a flattened nanotube. We suggest that the formation of nanotetrahedra chains is caused by a quasi-periodic instability of catalyst iron nanoparticles during the chemical vapor deposition growth. In addition, two adjoining carbon nanotetrahedra were found.

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Radial collapse of carbon nanotubes without and with Stone–Wales defects under hydrostatic pressure

Cited by 12 publications

References 34 publications

Molecules under Pressure: The Case of [n]Cycloparaphenylenes

Molecules under Pressure: The Case of [n]Cycloparaphenylenes

Deformation of single‐walled carbon nanotubes by interaction with graphene: A first‐principles study

Chains of Carbon Nanotetrahedra/Nanoribbons

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