BCN nanotubes and boron doping of carbon nanotubes

Redlich, Ph.; Loeffler, Jean‐Philippe; Ajayan, Pulickel M.; Bill, Joachim; Aldinger, Fritz; Rühle, M.

doi:10.1016/0009-2614(96)00817-2

Cited by 278 publications

(108 citation statements)

References 17 publications

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“…35 71 A similar pathway was followed for B/N/C-nanotubular structures by Redlich et al 72 Over the years many boron-doped carbons and -due to the fundamental proximity to the aforementioned stoichiometric boron nitride materials -also boron-and nitrogen-codoped carbons have been synthesised, some examples of which can be found in the reference list, reaching from chemical vapour deposition and arc discharge approaches over pyrolytic procedures towards the carbonisation of ionic liquid based precursors. [73][74][75][76][77][78][79][80] Meanwhile research groups have started focusing on not only fundamental studies on boron-doping, but also on applying the obtained materials and exploiting their benecial properties in energy related applications.…”

Section: 69mentioning

confidence: 83%

Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications

Paraknowitsch

Thomas

2013

Energy Environ. Sci.

1,643

999

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Heteroatom doped carbon materials represent one of the most prominent families of materials that are used in energy related applications, such as fuel cells, batteries, hydrogen storage or supercapacitors. While doping carbons with nitrogen atoms has experienced great progress throughout the past decades and yielded promising material concepts, also other doping candidates have gained the researchers' interest in the last few years. Boron is already relatively widely studied, and as its electronic situation is contrary to the one of nitrogen, codoping carbons with both heteroatoms can probably create synergistic effects. Sulphur and phosphorus have just recently entered the world of carbon synthesis, but already the first studies published prove their potential, especially as electrocatalysts in the cathodic compartment of fuel cells. Due to their size and their electronegativity being lower than those of carbon, structural distortions and changes of the charge densities are induced in the carbon materials. This article is to give a state of the art update on the most recent developments concerning the advanced heteroatom doping of carbon that goes beyond nitrogen. Doped carbon materials and their applications in energy devices are discussed with respect to their boron-, sulphur-and phosphorus-doping. Broader contextThe research and design of novel materials that are applicable in various energy devices represent one of the central and most thriving subjects within today's scientic work. The challenges do not only rely on the tremendous need to overcome traditional fossil fuel based energy recovery. While a lot of sustainable concepts already exist, these require the development of high performance materials that are able to cope with certain challenges, e.g. the dependence on highly expensive and rather not abundantly available noble metals, and also a lack of long term stability of those. Researchers have been carrying out numerous studies concentrating on nding alternative materials that can be applied in novel energy devices. Those alternative materials should most preferably be free of noble metals, avoid expensive precursor systems, be sustainable and not rely on the fossil energy sources that are to be replaced, and of course exhibit high activity in the devices they are designed for. One class of materials in whose development and understanding researchers have put strong effort is heteroatom-doped carbon materials. By heteroatom doping the properties are altered compared to crude carbon materials. The by far most intensely studied doping candidate is nitrogen, capable of not only increasing electric conductivity, but also the catalytic activity of carbons. Such N-doped carbons have advanced tremendously in the past few years, especially by proving their usefulness as electrocatalysts for the reduction of oxygen in fuel cell cathodes, or as electrode materials in supercapacitors. Meanwhile the spectrum of doping has been widened, and novel doped carbons have been reported, indicating the promising pote...

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Section: 69mentioning

confidence: 83%

Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications

Paraknowitsch

Thomas

2013

Energy Environ. Sci.

1,643

999

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“…1 Nanotubes (NTs) with C, B, and N were theoretically predicted 2 and experimentally synthesized in the mid1990s, 1,[3][4][5] but the recent advent of graphene has revitalized the field. Hybrid C and BN nanosheets are becoming accessible, 6,7 offering a new route to enhance graphene's promise, enabling the fine-tuning of the electronic and optical properties (for example, modulation of the electronic band gap, chemical reactivity, etc.…”

Section: Introductionmentioning

confidence: 99%

Native defects in hybrid C/BN nanostructures by density functional theory calculations

Pruneda

2012

Phys. Rev. B

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First-principles calculations of substitutional defects and vacancies are performed for zigzag-edged hybrid C/BN nanosheets and nanotubes which recently have been proposed to exhibit half-metallic properties. The formation energies show that defects form preferentially at the interfaces between graphene and BN domains rather than in the middle of these domains, and that substitutional defects dominate over vacancies. Chemical control can be used to favor localization of defects at C-B interfaces (nitrogen-rich environment) or C-N interfaces (nitrogen-poor environment). Although large defect concentrations have been considered here (10 6 cm −1 ), halfmetallic properties can subsist when defects are localized at the C-B interface and for negatively charged defects localized at the C-N interface; hence the promising magnetic properties theoretically predicted for these zigzag-edged nanointerfaces might not be destroyed by point defects if these are conveniently engineered during synthesis.

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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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BCN nanotubes and boron doping of carbon nanotubes

Cited by 278 publications

References 17 publications

Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications

Doping carbons beyond nitrogen: an overview of advanced heteroatom doped carbons with boron, sulphur and phosphorus for energy applications

Native defects in hybrid C/BN nanostructures by density functional theory calculations

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

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