Metal particle catalysed production of nanoscale BN structures

Terrones, Mauricio; Hsu, Wen Kuang; Terrones, Humberto; Zhang, J.P.; Ramos, Salvador; Hare, Jonathon; Castillo, Rolando; Prassides, Kosmas; Cheetham, Anthony K.; Kroto, Harold W.; Walton, D. R. M.

doi:10.1016/0009-2614(96)00773-7

Cited by 274 publications

(154 citation statements)

References 27 publications

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“…Substitution of carbon with boron and nitrogen have been carried out, producing boron-, nitrogen-, and boron-nitrogen-doped carbon nanotubes [41][42][43][44][45][46][47][48][49] and totally substituted boron nitride nanotubes (BN-NTs). 46,47,[50][51][52][53][54][55][56][57][58][59][60][61][62] The structure of these new boronnitrogen-containing fullerenes and nanotubes have been studied and compared with that of carbon nanotubes. [63][64][65][66][67][68][69][70][71][72][73][74][75][76] In particular, it has been noted that BN-NTs have an almost constant band gap of 5.5 eV with respect to the geometric configuration of the tube whereas the band gap of carbon nanotubes show a strong geometry dependence.…”

Section: Introductionmentioning

confidence: 99%

Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study

et al. 2001

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In the present work, we have calculated the static and frequency-dependent polarizability tensors for a series of single-walled boron nitride nanotubes and compared them with corresponding results for carbon nanotubes. The calculations have been performed by employing a dipole-dipole interaction model based on classical electrostatics and an Unsöld dispersion formula. In comparison, we have carried out ab intio calculations at the SCF level of the static polarizability of the smaller nanotubes with the STO-3G basis set. For the frequencydependent polarizability of C 60 , we found excellent agreement among the most accurate SCF calculations in the literature, the interaction model, and experimental results. In particular, the frequency dependence is modeled accurately indicating that the interaction model is a useful tool for studying the frequency dependence of materials. For the nanotubes, we observe the same trends in the interaction model and in the SCF STO-3G results when the number of atoms is increased. However, the values obtained with the interaction model are about 100% larger than the corresponding SCF STO-3G results, due to the small size of the STO-3G basis set. We also find that the boron nitride nanotubes have smaller magnitudes of the polarizability tensor components than the corresponding components for the carbon nanotubes with the same geometry and number of atoms. Furthermore, we find that the geometry of the tube has a large influence on the anisotropy of the polarizability components, whereas the mean polarizability remains almost unaffected when the geometrical configuration is modified. Finally, we observe a relatively small frequency dependence of the polarizability tensor of BN nanotubes.

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Section: Introductionmentioning

confidence: 99%

Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study

et al. 2001

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“…Indeed BN [8][9][10], BC 3 and BC 2 N [11] have now been synthesized, though the actual structure of BC 2 N tubes seems to correspond to concentric shells of C and BN in a 'sandwich' structure [12]. Other tubular structures formed by heavier element compounds have been predicted, such as GaSe [13], and synthesized, like WS 2 and MoS 2 [14].…”

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confidence: 99%

Elastic properties of single-wall nanotubes

Hernández

Goze

Bernier

et al. 1999

Applied Physics A: Materials Science & Processing

231

131

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We report results of theoretical studies on the elastic properties of single-wall nanotubes of the following compositions: C, BN, BC3, BC2N and C3N4. These studies have been carried out using a total energy, non-orthogonal tight-binding parametrisation which is shown to provide results in good agreement both with calculations using higher levels of theory and the available experimental data. Our results predict that of all types of nanotubes considered, carbon nanotubes have the highest Young's modulus. We have considered tubes of different diameters, ranging from 0.5 to 2 nm, and find that in the limit of large diameters the mechanical properties of nanotubes approach those of the corresponding flat graphene-like sheets.The discovery of C 60 and fullerenes [1] in the mid 80's was soon followed by the observation of nanotubes [2], first reported by Iijima [3] in 1991. Since then nanotubes have been the focus of attention of a growing scientific community, attracted to them by their many interesting properties, such as their structure, electrical conductivity and mechanical properties, as well as by their large potential for practical applications. Two types of nanotubes exist: those originally observed by Iijima [3] were multi-wall nanotubes (MWNT's), formed by concentric shells of apparently seamless cylinders of graphene, having a separation between them similar to that in graphite. More recently, single-wall nanotubes (SWNT's) have also been synthesized. As their name indicates, these consist of a single seamless cylinder of graphene [2].Soon after the discovery of carbon nanotubes it was proposed that other compounds forming graphite-like structures, such as BN [4], BC 3 [5], BC 2 N [6], and CN [7], could also form nanotubular structures. Indeed BN [8][9][10], BC 3 and BC 2 N [11] have now been synthesized, though the actual structure of BC 2 N tubes seems to correspond to concentric shells of C and BN in a 'sandwich' structure [12]. Other tubular structures formed by heavier element compounds have been predicted, such as GaSe [13], and synthesized, like WS 2 and MoS 2 [14].In this paper we focus our attention on the structural, energetic and mechanical properties of single-wall carbon and composite nanotubes. We perform a systematic study of these systems using Tight-Binding total energy methods [15], as well as first-principles [16] calculations. Some of the results reported here have already appeared in published form [17], but we also provide previously unpublished results for the C 3 N 4 nanotubes.The structure of this paper is as follows. In Sec. I we review the available experimental data on the mechanical properties of nanotubes, while Sec. II is devoted to discussing previous theoretical work. In Sec. III we describe the models used in our work and the calculations carried out in order to address the issues discussed here. Then, in Sec. IV we discuss our results and conclusions.

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“…These kind of morphologies suggests the presence of energetically unfavorable odd-membered rings (e.g., pentagons and heptagons) in addition to favorable even membered rings (e.g., squares). [10][11][12][13] A flat tip with right-angle corners is the most common morphology for hexagonal BN networks. The right angle termination results from the presence of four-membered rings (B 2 N 2 squares) at the tip, instead of five-membered rings.…”

Section: 6mentioning

confidence: 99%

Insights into the capping and structure of MoS2 nanotubes as revealed by aberration-corrected STEM

et al. 2010

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Aberration-corrected electron microscopy (STEM-HAADF) has been used for the first time to understand the capping, nature and structure of the MoS 2 nanotubes. The MoS 2 nanotubes that have been obtained have various unusual faceted caps presumably arising from the presence of topological defects. A detailed study of the capping of the nanotubes, along with identification that the MoS 2 nanotubes are of the zigzag type have been carried out using both experimental and simulated STEM images. The presence of 3R-rhombohedral stacking of the MoS 2 nanotubes has been identified.

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Metal particle catalysed production of nanoscale BN structures

Cited by 274 publications

References 27 publications

Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study

Frequency-Dependent Polarizability of Boron Nitride Nanotubes: A Theoretical Study

Elastic properties of single-wall nanotubes

Insights into the capping and structure of MoS2 nanotubes as revealed by aberration-corrected STEM

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