Mechanically induced defects and strength of BN nanotubes

Bettinger, Holger F.; Dumitrică, Traian; Scuseria, Gustavo E.; Yakobson, Boris I.

doi:10.1103/physrevb.65.041406

Cited by 142 publications

(112 citation statements)

References 27 publications

(26 reference statements)

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“…SW defects may also appear under large tension, as simulations 493 indicate. Thus the properties of point defects in BN nanosystems have been studied in a considerable body of theoretical papers 212,[494][495][496][497][498][499][500] within the framework of DFT.…”

Section: Theory Of Point Defects In Bn Nanotubesmentioning

confidence: 93%

“…363 SW defects which may be formed due to the incomplete recombination of Frenkel pairs were also shown to exist in BN nanostructures. 493,494,506 The formation energy of these defects is a function of tube diameter and it is about 5 eV for nanotubes with diameters about 1 nm, 493,494 lower than the energies for SVs. Note, however, that in contrast to the situation for graphene, SW defects have not been found in single BN sheets irradiated in a TEM.…”

Section: Theory Of Point Defects In Bn Nanotubesmentioning

confidence: 99%

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Ion and electron irradiation-induced effects in nanostructured materials

Krasheninnikov¹,

Nordlund²

2010

Journal of Applied Physics

922

591

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A common misconception is that the irradiation of solids with energetic electrons and ions has exclusively detrimental effects on the properties of target materials. In addition to the well-known cases of doping of bulk semiconductors and ion beam nitriding of steels, recent experiments show that irradiation can also have beneficial effects on nanostructured systems. Electron or ion beams may serve as tools to synthesize nanoclusters and nanowires, change their morphology in a controllable manner, and tailor their mechanical, electronic, and even magnetic properties. Harnessing irradiation as a tool for modifying material properties at the nanoscale requires having the full microscopic picture of defect production and annealing in nanotargets. In this article, we review recent progress in the understanding of effects of irradiation on various zero-dimensional and one-dimensional nanoscale systems, such as semiconductor and metal nanoclusters and nanowires, nanotubes, and fullerenes. We also consider the two-dimensional nanosystem graphene due to its similarity with carbon nanotubes. We dwell on both theoretical and experimental results and discuss at length not only the physics behind irradiation effects in nanostructures but also the technical applicability of irradiation for the engineering of nanosystems.

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Section: Theory Of Point Defects In Bn Nanotubesmentioning

confidence: 93%

Section: Theory Of Point Defects In Bn Nanotubesmentioning

confidence: 99%

Ion and electron irradiation-induced effects in nanostructured materials

Krasheninnikov¹,

Nordlund²

2010

Journal of Applied Physics

922

591

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show abstract

“…The possible dislocation dipoles as defect nuclei under tension in BN nanotubes were identified by dislocation theory and MD simulations [96]. Formation energies of the dipoles evaluated by gradient-corrected DFT are high and remain positive at large strains, thus suggesting great yield resistance of BN nanotubes.…”

Section: Nanotubular Boron Nitridementioning

confidence: 99%

Molar Binding Energy of Zigzag and Armchair Single-Walled Boron Nitride Nanotubes

Chkhartishvili¹,

Murusidze²

2010

MSA

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“…For example, the mechanical properties of h-BN sheets, h-BN tubes and the defects in h-BN sheets have been investigated. [7,[19][20][21][22][23][24] However, a thorough investigation of the mechanical properties of single-layer h-BN and how mechanics may influence the band structures of h-BN are still missing. Peng et al have investigated the uniaxial tensile and compressive stressstrain response of h-BN [24] with deformation in the transverse being constrained to some extent.…”

mentioning

confidence: 99%

Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride

Wang

Wei

et al. 2013

Materials Research Letters

149

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Current interest in two-dimensional materials extends from graphene to others systems like single-layer hexagonal boron-nitride (h-BN), for the possibility of making heterogeneous structures to achieve exceptional properties that cannot be realized in graphene. The electrically insulating h-BN and semi-metal graphene may open good opportunities to realize a semiconductor by manipulating the morphology and composition of such heterogeneous structures. Here we report the mechanical properties of h-BN and its band structures tuned by mechanical straining by using the density functional theory calculations. The elastic properties, both the Young's modulus and bending rigidity for h-BN, are isotropic. However, its failure strength and failure strain show strong anisotropy. We reveal that there is a bi-linear dependence of band gap on the applied tensile strains in h-BN. Mechanical strain can tune single-layer h-BN from an insulator to a semiconductor, with a band gap in the 4.7eV to 1.5eV range.

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Mechanically induced defects and strength of BN nanotubes

Cited by 142 publications

References 27 publications

Ion and electron irradiation-induced effects in nanostructured materials

Ion and electron irradiation-induced effects in nanostructured materials

Molar Binding Energy of Zigzag and Armchair Single-Walled Boron Nitride Nanotubes

Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride

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