Graphene-nanotube structures: Constitution and formation energy

Чернозатонский, Л. А.; Sheka, E. F.; Artyukh, A. A.

doi:10.1134/s0021364009070091

Cited by 17 publications

(13 citation statements)

References 11 publications

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“…Thus for large diameters, rolled edges converge to a classical folded edge which then terminates some distance from the actual edge via a line of sp 3 -like bonds. We note that in no case is the combination of a free tube and graphene edge more stable than the nanotube terminated edge [24] i.e. there will be no thermodynamic driving force for nanotube production from rolled edges.…”

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confidence: 94%

Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes

et al. 2011

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We demonstrate that free graphene sheet edges can curl back on themselves, reconstructing as nanotubes. This results in lower formation energies than any other non-functionalised edge structure reported to date in the literature. We determine the critical tube size and formation barrier and compare with density functional simulations of other edge terminations including a new reconstructed Klein edge. Simulated high resolution electron microscopy images show why such rolled edges may be difficult to detect. Rolled zigzag edges serve as metallic conduction channels, separated from the neighbouring bulk graphene by a chain of insulating sp 3 -carbon atoms, and introduce Van Hove singularities into the graphene density of states.

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confidence: 94%

Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes

et al. 2011

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“…If a CNT is`capped' or terminated with hydrogen atoms, graphene flakes are attracted to this CNT end through molecular forces and no covalent bonds are formed between them. 257 Molecular`trapping' of graphene fragments by the CNT surface was studied by the molecular dynamics method. It was proposed to prepare this type of molecular structures in a solution of a mixture of CNTs and graphene fragments.…”

Section: Theoretical Researchmentioning

confidence: 99%

“…It was proposed to prepare this type of molecular structures in a solution of a mixture of CNTs and graphene fragments. 257 Helical wrapping of GNR around a CNT through van der Waals interaction at low temperatures was studied. 260 Structural models for the experimentally observed 89 encapsulation of GNR inside a CNT were constructed.…”

Section: Theoretical Researchmentioning

confidence: 99%

Novel graphene-based nanostructures: physicochemical properties and applications

Чернозатонский¹,

Сорокин²,

Artukh³

2014

Russ. Chem. Rev.

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“…There are different methods to do this: experimental and theoretical, predictive modeling. In published works [1,[4][5][6][7][8] different types of composites, distinguished by configuration of their components and method of connection were considered It is proved that such composites have high thermal conductivity [6] and good emission properties [9,10], what determines their perspectives in element base of nanodevices and other applied fields. In particular, such composite material might be used as repository for hydrogen atoms, as a filter of water [12,4] and supercapacitors [13,14].…”

Section: Introductionmentioning

confidence: 99%