Low-temperature phase transformation from nanotube to sp3 superhard carbon phase

Ning Xu; Jian-Fu Li; Bo-Long Huang; Bao-Lin Wang

doi:10.1088/1674-1056/24/6/066102

Low-temperature phase transformation from nanotube to sp³ superhard carbon phase

Ning Xu^*
, Jian-Fu Li
, Bo-Long Huang
, Bao-Lin Wang

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

2 Citations (Scopus)

Abstract

Numerous new carbon allotropes have been uncovered by compressing carbon nanotubes based on our computational investigation. The volume compression calculations suggest that these new phases have a very high anti-compressibility with a large bulk modulus (B₀). The predicted B₀ of new phases is larger than that of c-BN (373 GPa) and smaller than that of diamond (453 GPa). All of the predicted structures are superhard transparent materials with a larger band gap and possess the covalent characteristics with sp³-hybridized electronic states. The simulated results will help us better understand the structural phase transition of cold-compressed carbon nanotubes. © 2015 Chinese Physical Society and IOP Publishing Ltd.

Original language	English
Article number	066102
Journal	Chinese Physics B
Volume	24
Issue number	6
DOIs	https://doi.org/10.1088/1674-1056/24/6/066102
Publication status	Published - 1 Jun 2015

Bibliographical note

Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

Research Keywords

low-temperature phase transformation
superhard carbon phase

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10.1088/1674-1056/24/6/066102

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Cite this

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title = "Low-temperature phase transformation from nanotube to sp3 superhard carbon phase",

abstract = "Numerous new carbon allotropes have been uncovered by compressing carbon nanotubes based on our computational investigation. The volume compression calculations suggest that these new phases have a very high anti-compressibility with a large bulk modulus (B0). The predicted B0 of new phases is larger than that of c-BN (373 GPa) and smaller than that of diamond (453 GPa). All of the predicted structures are superhard transparent materials with a larger band gap and possess the covalent characteristics with sp3-hybridized electronic states. The simulated results will help us better understand the structural phase transition of cold-compressed carbon nanotubes. {\textcopyright} 2015 Chinese Physical Society and IOP Publishing Ltd.",

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AU - Xu, Ning

AU - Li, Jian-Fu

AU - Huang, Bo-Long

AU - Wang, Bao-Lin

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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N2 - Numerous new carbon allotropes have been uncovered by compressing carbon nanotubes based on our computational investigation. The volume compression calculations suggest that these new phases have a very high anti-compressibility with a large bulk modulus (B0). The predicted B0 of new phases is larger than that of c-BN (373 GPa) and smaller than that of diamond (453 GPa). All of the predicted structures are superhard transparent materials with a larger band gap and possess the covalent characteristics with sp3-hybridized electronic states. The simulated results will help us better understand the structural phase transition of cold-compressed carbon nanotubes. © 2015 Chinese Physical Society and IOP Publishing Ltd.

AB - Numerous new carbon allotropes have been uncovered by compressing carbon nanotubes based on our computational investigation. The volume compression calculations suggest that these new phases have a very high anti-compressibility with a large bulk modulus (B0). The predicted B0 of new phases is larger than that of c-BN (373 GPa) and smaller than that of diamond (453 GPa). All of the predicted structures are superhard transparent materials with a larger band gap and possess the covalent characteristics with sp3-hybridized electronic states. The simulated results will help us better understand the structural phase transition of cold-compressed carbon nanotubes. © 2015 Chinese Physical Society and IOP Publishing Ltd.

KW - low-temperature phase transformation

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DO - 10.1088/1674-1056/24/6/066102

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