bn nanotubes
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2022 ◽  
Vol 3 ◽  
Author(s):  
Keke Mao ◽  
Haifeng Lv ◽  
Xiuling Li ◽  
Jiajia Cai

Perfect boron nitride (BN) nanotubes are chemically inert, and hardly considered as catalysts. Nevertheless, metal wire encapsulated BN nanotubes show extraordinarily high chemical activity. We report nickel (Ni) nanowire encapsulated BN(8.0) and BN(9.0) nanotubes toward O2 activation and CO oxidization on the basis of first-principles calculations. Our results suggest that Ni wire encapsulated BN(8.0) and BN(9.0) nanotubes can easily adsorb and activate O2 molecules to form peroxo or superoxo species exothermically. Meanwhile, superoxo species are ready to react with CO molecules forming OCOO intermediate state and finally yielding CO2 molecules. Meanwhile, the rate-limiting step barrier is only 0.637 eV, implying excellent performance for CO oxidation on Ni nanowire encapsulated BN nanotubes. Furthermore, encapsulation of nickel wire improves the catalytic activity of BN nanotubes by facilitating electron transfer from Ni wire to BN nanotubes, which facilitates the adsorption of highly electronegative O2 molecules and subsequent CO oxidation. This study provides a practical and efficient strategy for activating O2 on a metal encapsulated BN nanotube toward CO oxidation.


Author(s):  
T. Tamiya ◽  
Y. Bando ◽  
D. Golberg ◽  
M. Eremets ◽  
K. Takemura ◽  
...  

2021 ◽  
Vol 4 ◽  
pp. 100084
Author(s):  
Claudio Natalio Lima ◽  
H.O. Frota ◽  
Puspitapallab Chaudhuri ◽  
Angsula Ghosh

Author(s):  
Jamshid Najafpour ◽  
Farrokh Roya Nikmaram ◽  
Fatemeh Firooznasab

In this work, the potential relation between magnetic response properties (isotropic shielding (σ) and total atomic magnetizabilities, Χ(Ω)) with QTAIM atomic charges of boron and nitrogen atoms in (4,4), (5,3) and (7,0) single-walled boron nitride nanotubes (SWBNNTs) are investigated at DFT B3LYP/ 6-31G(d) level of theory using periodic boundary condition (PBC) approach. The results show that a liner correlation exists between atomic charges of B and N in (4,4) and (5,3) BNNTs and the isotropic shielding. The results show a solid correlation between chemical shielding and total-atomic magnetizabilities, Χ(Ω) in (4,4) BNNT with the lowest conductivity.


2021 ◽  
Vol 536 ◽  
pp. 147686
Author(s):  
Puspitapallab Chaudhuri ◽  
Claudio Natalio Lima ◽  
H.O. Frota ◽  
Angsula Ghosh

2021 ◽  
Vol 260 ◽  
pp. 03027
Author(s):  
Yanjiao Li ◽  
Jianfeng Guo ◽  
Xinfeng Wang ◽  
Han Wang ◽  
Xuan He

In order to improve the yield of BN nanotubes prepared by ball milling annealing method, a small amount of magnesium was used as catalyst to synthesized boron nitride nanotubes. The results showed that boron nitride nanotubes with high yield, high purity and uniform size were synthesized. The morphology of the synthesized BNNTs is bamboo-like and cylinder-shaped. The diameter of them is about 50 to 150 nm and most of them are 100nm. The length of them is dozens of microns. The existence of end particles indicates that the growth mechanism of BNNTs can be attributed to a gas-liquid-solid growth model. The magnesium catalyzed preparation of boron nitride nanotubes has stable process, high yield and high purity, which is expected to be a good method for large-scale preparation of boron nitride nanotubes.


2020 ◽  
Vol 2020 ◽  
pp. 1-6 ◽  
Author(s):  
Nawa Alshammari

Different nanostructures of boron nitride have been observed experimentally such as fullerenes, tubes, cones, and graphene. They have received much attention due to their physical, chemical, and electronic properties that lead them to numerous applications in many nanoscale devices. Joining between nanostructures gives rise to new structures with outstanding properties and potential applications for the design of probes for scanning tunneling microscopy and other nanoscale devices, as carriers for drug delivery and liquid separation. This paper utilizes calculus of variations to model the joining between two types of BN nanostructures, namely, BN nanotubes and BN nanocones. Based on the curvature of the join curve, the joining of these structures can be divided into two models. Model I refers to when the join profile includes positive curvature only, and Model II contains both positive and negative curvatures. The main goal here is to formulate the basic underlying structure from which any such small perturbations can be viewed as departures from an ideal model. For this scenario of joining, we successfully present simple models based on joining BN nanotubes to BN nanocones with five different angles of the cone.


Materials ◽  
2020 ◽  
Vol 13 (4) ◽  
pp. 915 ◽  
Author(s):  
Hao Guo ◽  
Yonggang Xu ◽  
Hetuo Chen ◽  
Zhengjuan Wang ◽  
Xiaojian Mao ◽  
...  

Multiwall boron nitride (BN) nanotubes were synthesized by a novel physical vapor deposition (PVD) method, in which the BN nanotubes grow on a compact substrate composed of AlN, γ-Al2O3, Y2O3, and carbon powders. The obtained BN nanotubes assemble in an orderly manner with a typical length of over one millimeter and a diameter of one-hundred nanometers. The hollow multiwall tubes have a spherical tip, which is presumed to be a liquid drop at the synthesis temperature, indicating the vapor–liquid–solid (VLS) growth mechanism.


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