Helical Encapsulation of Graphene Nanoribbon into Carbon Nanotube

Jiang, Yanyan; Li, Hui; Li, Yunfang; Yu, Haiqing; Liew, K.M.; He, Yezeng; Liu, Xiangfa

doi:10.1021/nn103317u

Cited by 72 publications

(56 citation statements)

References 49 publications

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“…Moreover, according to the proposed geometrical structures of GNRs in CNTs by Jiang et al 7,. we speculate that the flexible ribbons twist to adopt a versatile orientation222324 under such moderate heating condition.…”

Section: Resultsmentioning

confidence: 99%

“…There are several studies devoted to the fabrication of graphene nanoribbons (GNRs) in CNTs through the confined polymerization of polycyclic aromatic hydrocarbon molecules56. In addition, the theoretical models proposed by Jiang et al 7. have suggested that the GNRs residing in CNTs would form a helical conformation due to the geometric constraints imposed by an outer tube.…”

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confidence: 99%

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Growth of carbon nanotubes via twisted graphene nanoribbons

et al. 2013

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Carbon nanotubes have long been described as rolled-up graphene sheets. It is only fairly recently observed that longitudinal cleavage of carbon nanotubes, using chemical, catalytical and electrical approaches, unzips them into thin graphene strips of various widths, the so-called graphene nanoribbons. In contrast, rolling up these flimsy ribbons into tubes in a real experiment has not been possible. Theoretical studies conducted by Kit et al. recently demonstrated the tube formation through twisting of graphene nanoribbon, an idea very different from the rolling-up postulation. Here we report the first experimental evidence of a thermally induced self-intertwining of graphene nanoribbons for the preferential synthesis of (7, 2) and (8, 1) tubes within parent-tube templates. Through the tailoring of ribbon’s width and edge, the present finding adds a radically new aspect to the understanding of carbon nanotube formation, shedding much light on not only the future chirality tuning, but also contemporary nanomaterials engineering.

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Section: Resultsmentioning

confidence: 99%

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confidence: 99%

Growth of carbon nanotubes via twisted graphene nanoribbons

et al. 2013

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“…250 It was recently demonstrated that it may be possible to combine graphene and carbon nanotubes in novel composite materials in which the graphene spontaneously rolls up around the nanotube or enters its interior. [251][252][253][254] Graphene can also interact with carbon nanotubes to form 3D pillared structures where individual graphene sheets are separated by perpendicularly oriented carbon nanotubes. MD techniques were used to study the mechanical and thermal properties of these nano-networks, 255,256 and there is computational evidence that such pillared graphene structures could be used in gas separation 257 or hydrogen storage.…”

Section: Hybrid Carbon Systemsmentioning

confidence: 99%

Modelling of graphene functionalization

Pykal

Jurečka

Karlický

et al. 2016

Phys. Chem. Chem. Phys.

200

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Graphene has attracted great interest because of its remarkable properties and numerous potential applications. A comprehensive understanding of its structural and dynamic properties and those of its derivatives will be required to enable the design and optimization of sophisticated new nanodevices. While it is challenging to perform experimental studies on nanoscale systems at the atomistic level, this is the 'native' scale of computational chemistry. Consequently, computational methods are increasingly being used to complement experimental research in many areas of chemistry and nanotechnology. However, it is difficult for non-experts to get to grips with the plethora of computational tools that are available and their areas of application. This perspective briefly describes the available theoretical methods and models for simulating graphene functionalization based on quantum and classical mechanics. The benefits and drawbacks of the individual methods are discussed, and we provide numerous examples showing how computational methods have provided new insights into the physical and chemical features of complex systems including graphene and graphene derivatives. We believe that this overview will help non-expert readers to understand this field and its great potential.

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“…22 Moreover, the COMPASS potential has been widely used to model the carbon-carbon bond of graphene. [32][33][34][35][36][37] The second reason is that the grillage model is anisotropic and the materials properties are highly dependent on the deformation modes. Wrinkles in graphene herein are generally nonsymmetrical deformation.…”

Section: Comparison Of Recommended Grillage Parameters With Reportmentioning

confidence: 99%