Prediction of superhard carbon allotropes from the segment combination method

He, Chao; Sun, L. Z.; Zhong, Jianxin

doi:10.3103/s1063457612060123

Cited by 19 publications

(14 citation statements)

References 103 publications

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“…For a complete review of the structures and respective energetics, please see the review article in this Special Issue [14,15]. Wang et al [16] waited a long time (at least 6 hours to as long as 1 year) between XRD pattern collections due to the sluggish nature of the transition (Fig.…”

Section: -[54] M-[55 56] R-[57] S-[53] T-[58] W-[59]mentioning

confidence: 99%

“…Unlike the transition from graphite to diamond under high pressures and high temperatures, the cold-compressed behavior of graphite has been an enigma for over fifty years. In this review, a detailed history of the study of graphite under high pressure and room temperature will be given, beginning with the observation of the pressure-induced phase transition in graphite through numerous characterization techniques, controversial identification of the high-pressure graphite phase, long-term efforts to solve this discrepancy, and securing an elegant solution to this enigma on the basis of comparison of experimental results with existing theoretical computations [e.g., 14,15]. Further, the high-pressure room-temperature phase transition of graphite is sensitive to the form of the starting materials [16][17][18].…”

Section: Introductionmentioning

confidence: 99%

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From soft to superhard: Fifty years of experiments on cold-compressed graphite

Wang

Lee

2012

J. Superhard Mater.

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Section: -[54] M-[55 56] R-[57] S-[53] T-[58] W-[59]mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

From soft to superhard: Fifty years of experiments on cold-compressed graphite

Wang

Lee

2012

J. Superhard Mater.

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“…The proposed M-carbon is the first model to successfully explain the experimental XRD, optical transparency, and superhard nature of cold-compressed graphite [72,73]. After that, a series of models including bct-C 4 [74,75]; W-carbon [76]; structurally equivalent Cco-C 8 [46], Z-carbon [77], oC16-II [78], and Zcarbon-8 [79]; structurally equivalent F-carbon [80], S-carbon [47], Z-carbon-1 [79], and M10-carbon [81]; structurally equivalent O-carbon [82], R-carbon [47], and H-carbon [83,84]; structurally equivalent Z4-A3B1 [85] and P-carbon[47]; structurally equivalent S-carbon [83,84] and C-carbon [86]; X-carbon and Ycarbon [87] were proposed. Recently, the high-pressure experiments and transition path sampling calculations indicate M-carbon is the most likely product of cold compression of graphite [88][89][90][91].…”

Section: Theoretical Sectionmentioning

confidence: 99%

High-pressure behaviors of carbon nanotubes

Zhao

Zhou

et al. 2012

J. Superhard Mater.

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High-pressure behaviors of carbon nanotubesIn this paper, we have reviewed the experimental and theoretical studies on pressure-induced polygonization, ovalization, racetrack-shape deformation, and polymerization of carbon nanotubes (CNTs). The corresponding electronic, optical, and mechanical changes accompanying these behaviors have been discussed. The transformations of armchair (n, n) CNT bundles (n = 2, 3, 4, 6, and 8) Keywords: pressure-induced carbon nanotubes, polymerization, novel metastable carbons, electronic and mechanical characteristics. INTRODUCTIONCarbon adopts a wide range of allotropes with unique physical and chemical properties, e.g., graphite, diamond, fullerenes, nanotubes, chaoite, graphene, and amorphous carbon due to its ability to form sp-, sp 2 -, and sp 3 -hybridized bonds. Graphite, the most stable form of carbon at ambient pressure, has a layered and planar structure with the stacked graphene layers coupled by delocalized weak π bonds resulting in conductive and soft nature. Graphene, a recently rising star material, is one-atom-thick planar sheet with a honeycomb crystal lattice like that of graphite. Graphene has the amazing conductivity and strongest tensile strength along the planar layer directions but flexile in the other directions because of the conductive, strong, and flexile sp 2 bonds. Fullerenes and carbon nanotubes (CNTs) represent another two classes of fully sp 2 bonding carbons and are the focus of modern nanoscience and nanotechnology. Structurally, fullerenes are hollow graphitic cage structures composed of nonplanar 5-and 6-membered carbon rings. The smallest fullerene is C 20 [1] . Larger fullerene with increased diameter can also be formed [2,3]. Among them, purified C 60 and C 70 are now commercially available. CNTs can be considered as seamless cylinders formed by rolling single-or multilayer graphene. Different rolling manners yield distinct diametral and chiral CNTs. Given these unique configurations, CNTs possess a wide range of chemical and physical properties, e.g., low density, versatile electronic properties (insulating, semiconducting, Pressure is an effective means to induce the sp 2 -to-sp 3 bond change in carbon, and the produced metastable carbon phases strongly depend on the crystal structure and hybridization scheme of raw carbons, as well as on applied hydrostatic/nonhydrostatic pressure. For example, the compression of graphite can experimentally yield cubic and hexagonal diamonds, as well as a superhard coldcompressed post-graphite phase [5][6][7][8][9][10]. The glass carbon under pressure can transform into a superhard amorphous diamond [11], whereas the compression of C 60 and C 70 fullerenes can produce interesting 1D, 2D, and 3D C 60 and C 70 polymers, as well as other elusive new carbon phases [12][13][14][15][16][17][18][19][20][21][22][23][24][25]. Because a variety of CNT configurations can now be synthesized with a high yield, more interesting pressure-induced structural, electronic, and mechanical changes in CNTs are expected an...

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“…[15][16][17] Contrary to the direct transition from small organic molecules or polymers to brous carbons via carbonization and then CO 2 etching, this work unveils an alternative transition from an activated carbon ake to a PCF structure undertaken under CO 2 and a co-gas atmosphere only. Hence, this transition differs from the transformations of carbon allotropes [18][19][20][21] because the former, in principle, involves convective mass transfer whereas the latter do not.…”

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confidence: 92%

The growth of porous carbon fibres through in situ vapour deposition

Zhou

Hong

2013

RSC Adv.

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This study investigates the transition of carbon flakes to porous carbon fibres (PCF) through vaporisation fragments of polyaromatic hydrocarbons (PAH) and their in situ condensation under the co-gas atmosphere of N 2 and CO 2 (v/v ¼ 1), where CO 2 plays a vital role in cutting out vaporizable PAH fragments. The polycrystalline PCF exhibit d-spacings as large as 17Å within the mesoporous framework.

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Prediction of superhard carbon allotropes from the segment combination method

Cited by 19 publications

References 103 publications

From soft to superhard: Fifty years of experiments on cold-compressed graphite

From soft to superhard: Fifty years of experiments on cold-compressed graphite

High-pressure behaviors of carbon nanotubes

The growth of porous carbon fibres through in situ vapour deposition

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