Pyrolytically grown BxCyNz nanomaterials: nanofibres and nanotubes

Terrones, Mauricio; Benito, Ana M.; Manteca-Diego, C.; Hsu, Wen Kuang; Osman, Osama; Hare, Jonathon; Reid, Douglas G.; Terrones, Humberto; Cheetham, Anthony K.; Prassides, Kosmas; Kroto, Harold W.; Walton, D. R. M.

doi:10.1016/0009-2614(96)00594-5

Cited by 224 publications

(92 citation statements)

References 25 publications

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“…11,[14][15][16][17][18] In addition to the studies of pure carbon compounds, different kinds of impurities have been introduced into fullerenes and nanotubes. 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.…”

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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“…The physical properties of these unique structures depend on their specific geometry and chemical composition being organic, [1,9,10] inorganic, [2-8, 12, 15, 16] or mixed. [19][20][21][22][23][24][25][26][27][28][29][30] When stacked together to form multilayered structures, the physical properties of the individual layers may be considerably altered via interlayer interactions. [31][32][33][34][35][36][37][38][39][40][41][42][43][44][45] Due to the different nature of the intra-and inter-layer interactions, the resulting layered systems often present highly anisotropic properties.…”

Section: Introductionmentioning

confidence: 99%

Quantifying the Stacking Registry Matching in Layered Materials

Hod

2010

Israel Journal of Chemistry

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A detailed account of a recently developed method [Marom et al., Phys. Rev. Lett. 105, 046801 (2010)] to quantify the registry mismatch in layered materials is presented. The registry index, which was originally defined for planar hexagonal boron-nitride, is extended to treat graphitic systems and generalized to describe multi-layered nanotubes. It is shown that using simple geometric considerations it is possible to capture the complex physical features of interlayer sliding in layered materials. The intuitive nature of the presented model and the efficiency of the related computations suggest that the method can be used as a powerful characterization tool for interlayer interactions in complex layered systems.

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“…Doping also allows new applications such as chemical sensors or electrochemical switches [13]. In carbon-based mate-rials p-type (n-type) doping can be achieved by boron (nitrogen) atom substitution within the carbon matrix [14]. Recently, both experimental and theoretical works have addressed the possibility to create on graphene, a single or a few number of vacancies, or even a superlattice of vacancies [15] [16] [17].…”

Section: Introductionmentioning

confidence: 99%

Effect of Boron (Nitrogen)-Divacancy Complex Defects on the Electronic Properties of Graphene Nanoribbon

Wang¹,

Jin²,

Sun³

2017

Graphene

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We report the effect of boron (nitrogen)-divacancy complex defects on the electronic properties of graphene nanoribbon by means of density functional theory. It is found that the defective subbands appear in the conduction band and valence band in accordance with boron (nitrogen)-divacancy defect, respectively; the impurity subbands don't lead to the transition from the metallic characteristic to a semiconducting one. These complex defects affect the electronic band structures around the Fermi level of the graphene nanoribbon; the charge densities of these configurations have also changed distinctly. It is hoped that the theoretical results are helpful in designing the electronic device.

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Pyrolytically grown BxCyNz nanomaterials: nanofibres and nanotubes

Cited by 224 publications

References 25 publications

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

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

Quantifying the Stacking Registry Matching in Layered Materials

Effect of Boron (Nitrogen)-Divacancy Complex Defects on the Electronic Properties of Graphene Nanoribbon

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