Low-temperature phase transformation from nanotube to sp3superhard carbon phase

Ning Xu; Jian Fu Li; Bolong Huang; Bao Lin Wang

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

Low-temperature phase transformation from nanotube to sp³superhard carbon phase

Ning Xu
, Jian Fu Li
, Bolong Huang
, Bao Lin Wang

Research output: Journal article publication › Journal article › Academic research › 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 B0of 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.

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
Externally published	Yes

Keywords

low-temperature phase transformation
superhard carbon phase

ASJC Scopus subject areas

General Physics and Astronomy

More information

10.1088/1674-1056/24/6/066102

Cite this

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title = "Low-temperature phase transformation from nanotube to sp3superhard 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 B0of 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.",

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AU - Xu, Ning

AU - Li, Jian Fu

AU - Huang, Bolong

AU - Wang, Bao Lin

PY - 2015/6/1

Y1 - 2015/6/1

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 B0of 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.

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 B0of 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.

KW - low-temperature phase transformation

KW - superhard carbon phase

UR - https://www.scopus.com/pages/publications/84930965595

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

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JO - Chinese Physics B

JF - Chinese Physics B

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