Adsorption Properties of Oxygen on <i>H</i>‐Capped (5, 5) Boron Nitride Nanotube (BNNT)‐ A Density Functional Theory

Baei, Mohammad T.; Kaveh, Fariborz; Torabi, Parviz; Alangi, S Z Sayyad

doi:10.1155/2011/912894

Cited by 8 publications

(3 citation statements)

References 20 publications

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“…On the other hand, boron nitride nanotubes are another kind of nanotube which consist of boron "B" and nitrogen "N" atoms bonded to each other. The bond length between B and N atoms is 2.503 Å [11]. Although the bond length in BNNT is longer than CNT and SiCNT, BNNT is the strongest material in case of mechanical stability with Young's modulus equal to 1.8 TPa where CNT and SiCNT have Young's modules equal to 1 TPa and 0.62 TPa respectively [10,13].…”

Section: Fig 1 Obtaining Nanotubesmentioning

confidence: 99%

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Comparison of small scale effect theories for buckling analysis of nanobeams

Mercan¹,

Cívalek²

2017

International Journal of Engineering &Amp; Applied Sciences

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Theories which consider small scale effect have a great importance on analysis in micro and nano scale. In present paper, three kind of nanotubes (Carbon Nanotube (CNT), Boron Nitride Nanotube (BNNT), and Silicon Carbide Nanotube (SiCNT)) are analyzed in case of buckling on two parameters elastic foundation. Three different small scale theories (Nonlocal Elasticity Theory (NET), Surface Elasticity Theory (SET), and Nonlocal Surface Elasticity Theory (NET&SET)) are applied to calculate the buckling loads. Also Classical Euler-Bernoulli Beam Theory (CT) is used to see the effect of small scale effective theories. Comparative results are given for simply supported nanotubes in figures.

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Section: Fig 1 Obtaining Nanotubesmentioning

confidence: 99%

“…Another kind of nanotube is boron nitride nanotube. Due to its superior mechanical strength, BNNT have been researched and used widely [8,11,12]. Their limited thermal resistance pushed researchers to develop a new nanomaterial.…”

Section: Introductionmentioning

confidence: 99%

Comparison of small scale effect theories for buckling analysis of nanobeams

Mercan¹,

Cívalek²

2017

International Journal of Engineering &Amp; Applied Sciences

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“…Also, such nanotubes are being considered as more appropriate materials than CNTs for applications in specific electronic and mechanical devices. However, the properties of nitride compounds have been studied more often than properties of phosphide compounds [7][8][9][10][11][12][13][14][15][16], making it necessary to further study the electronic properties of boron phosphide nanotubes (BPNTs). Nuclear magnetic resonance (NMR) spectroscopy is one of the best techniques to study the electronic structure properties of materials [17,18].…”

Section: Introductionmentioning

confidence: 99%

Ge-doped (4,4) armchair single-walled boron phosphide nanotube as a semiconductor: a computational study

Baei

2011

Monatsh Chem

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Density functional theory (DFT) calculations were performed to investigate the electronic structure properties of Ge-doped boron phosphide nanotubes (BPNTs) as a semiconductor at the B3LYP/6-31G* level of theory in order to evaluate the influence of Ge doping on (4,4) armchair BPNTs. We extended the DFT calculations to predict the electronic structure properties of Ge-doped boron phosphide nanotubes, which are very important for production of solid-state devices and other applications. The isotropic (CS I ) and anisotropic (CS A ) chemical shielding parameters for the sites of various 11 B and 31 P atoms, and the quadrupole coupling constant (C Q ) and asymmetry parameter (g Q ) at the sites of various 11 B nuclei, were calculated in pristine and Ge-doped (4,4) armchair BPNT models. The calculations indicated that, in these two forms of Ge-doped BPNTs, the binding energies are not attractive and do not characterize a chemisorption process. In comparison with the pristine model, the band gap of the two forms of Ge-doped BPNTs is reduced and increases their electrical conductance. The dipole moments of the Ge-doped BPNT structures show notable changes with respect to the pristine model. The nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) results show that the Ge B model is a more reactive material than the pristine or Ge P model.

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