Calculation of the Electronic and Thermal Properties of C/BN Nanotubular Heterostructures

Enyashin, Andrey N.; Seifert, Gotthard; Ivanovskiĭ, A. L.

doi:10.1007/s10789-005-0176-z

Cited by 13 publications

(7 citation statements)

References 40 publications

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“…Recently, Enyashin et al studied the electronic and mechanical properties of one of the BN-C nanocables, i.e., an armchair CNT (5, 5) within a zigzag BNNT (17, 0) [18][19][20][21]. Self-consistent charge-density functional tightbinding calculations and molecular dynamics simulation were used in their works.…”

Section: Introductionmentioning

confidence: 99%

Boron nitride and carbon double-wall hetero-nanotubes: first-principles calculation of electronic properties

2008

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First-principles calculations based on density functional theory with the generalized gradient approximation were carried out to investigate the electronic properties of boron nitride and carbon double-wall hetero-nanotubes of different chirality and size. The results show that the electronic structures of the double-wall hetero-nanotubes near the Fermi level are dominated by the p electrons of carbon atoms, regardless of whether the carbon nanotube is inside or outside the boron nitride nanotube. Double-wall hetero-nanotubes consisting of semiconducting carbon and boron nitride nanotubes are semiconductors. An opening of a band gap is observed for armchair carbon and boron nitride double-wall hetero-nanotubes with small intertube spacing due to the intertube interaction and the changes of symmetry.

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Section: Introductionmentioning

confidence: 99%

Boron nitride and carbon double-wall hetero-nanotubes: first-principles calculation of electronic properties

2008

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“…Dragging the water nanodroplets by individual ions was also modeled on BNTs with highly polar surfaces. 40,112,137 The observed ring-like droplets were dragged about 40 times slower than on the CNTs. 124 Now, we briefly describe the nanodroplet drag motion on the nanotubes.…”

Section: Coulombic Drag Of Molecules Induced By Distant Flowmentioning

confidence: 97%

“…The velocities obtained are (1) proportional to the electric field, (2) they have practically the same values when Na + or Cl – ions are used for the dragging, and (3) they largely decrease with the droplet size. Dragging the water nanodroplets by individual ions was also modeled on BNTs with highly polar surfaces. ,, The observed ring-like droplets were dragged about 40 times slower than on the CNTs …”

Section: Materials Drag In Nanotubes Induced By Fluidic Flowmentioning

confidence: 99%

Material Drag Phenomena in Nanotubes

Wang

2013

Chem. Rev.

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Introduction 3372 2. Material−Electron Drag in Nanotubes 3373 2.1. Material Drag Induced by Electron Flow 3373 2.2. Electron Drag Induced by Flowing Polar Liquids 3375 2.3. Electron Drag Induced by Flowing Gases 3376 3. Material Drag in Nanotubes Induced by Fluidic Flow 3377 3.1. Coulombic Drag of Molecules Induced by Distant Flow 3377 3.1.1. Dragging of Molecules on Nanotubes by Water Flowing through Their Interior 3377 3.1.2. Dragging of Nanodroplets on Nanotubes by Ions Passing through Their Interior 3378 3.1.3. Dragging of Solvated DNA on Nanotubes by Ionic Solutions Flowing through Their Interior 3380 3.1.4. Guided Self-Assembly of Filled Micelles on Nanotubes 3380 3.2. Electrokinetic Drag of Molecules 3381 3.2.1. Modeling of Electrokinetic Phenomena 3381 3.2.2. Electrophoretic Drag in Nanotubes 3381 3.2.3. Electroosmotic Drag in Nanotubes 3382 3.2.4. Other Fluidic Drag Mechanisms 3383 4. Material Drag in Nanotubes Induced by Mechanistic Means 3384 4.1. Thermal Gradient Drag of Molecular Assemblies 3384 4.2. Coherent Phonon Drag of Nanodroplets 3384 4.3. Chemically Tunable Nanoscale Liquid Propellers 3385 5. Conclusions 3386 Author Information 3386 Corresponding Author 3386 Notes 3386 Biographies 3386 Acknowledgments 3387 References 3387

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“…To this end, many efforts have been made to fabricate carbon and boron nitride hybrid nanotubes since 1994 [22][23][24][25][26][27][28][29]. Regarding the developments in experimental growth of hybrid nanotubes, several theoretical and experimental investigations have been carried out to explore the electromagnetic properties and stability of these hybrid nanotubes unlike the mechanical properties which are limited to elastic properties [30][31][32][33][34]. Although these studies have explored some crucial properties of hybrid nanotubes, it is important to understand their mechanical behavior as they are applied to any NEMS.…”

Section: Introductionmentioning

confidence: 99%

A molecular dynamics study on the vibration of carbon and boron nitride double-walled hybrid nanotubes

Ansari

Ajori

2015

Appl. Phys. A

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Synthesis of hybrid nanotubes to overcome the drawbacks of individual pure nanotubes in order to apply them in novel nanodevices has attracted great interest of researchers. To this end, pure single-and double-walled boron nitride nanotubes together with carbon and boron nitride double-walled hybrid nanotubes are simulated through molecular dynamics simulations in order to study their vibrational behavior. The natural frequency of nanotubes is computed, and the effects of geometrical parameters and boundary conditions on the natural frequency are investigated. According to the generated results, the natural frequency of boron nitride nanotubes is higher than that of their carbon counterpart and nanotubes with clamped boundary conditions possess the highest natural frequency compared to other types of boundary conditions. Also, the natural frequency of double-walled hybrid nanotubes is found to be between those of pure double-walled boron nitride and carbon nanotubes with small lengths. It is found that the natural frequency of double-walled hybrid nanotubes is less sensitive to length increase compared to pure double-walled carbon and boron nitride ones, leading to higher frequencies at greater lengths. Finally, to study the variation in natural frequency with the length, a rational curve is fitted to each data set and the corresponding constants are computed.

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Calculation of the Electronic and Thermal Properties of C/BN Nanotubular Heterostructures

Cited by 13 publications

References 40 publications

Boron nitride and carbon double-wall hetero-nanotubes: first-principles calculation of electronic properties

Boron nitride and carbon double-wall hetero-nanotubes: first-principles calculation of electronic properties

Material Drag Phenomena in Nanotubes

A molecular dynamics study on the vibration of carbon and boron nitride double-walled hybrid nanotubes

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