Computational design of an Iridium based catalyst for releasing H2 from hydrogenated BN nanotubes

2015 ◽  
Vol 51 (52) ◽  
pp. 10532-10535 ◽  
Author(s):  
Lisa Roy ◽  
Ankan Paul
Keyword(s):  
Free Energy ◽  
Boron Nitride ◽  
Molecular Hydrogen ◽  
Room Temperature ◽  
Computational Design ◽  
Boron Nitride Nanotubes ◽  
Pincer Complexes ◽  
Energy Barriers ◽  
Theoretical Investigations ◽  
Bn Nanotubes

Theoretical investigations reveal that Ir pincer complexes can release molecular hydrogen from hydrogenated boron nitride nanotubes at room temperature accessible free energy barriers.

Large-quantity production of high-yield boron nitride nanotubes

2002 ◽  
Vol 17 (8) ◽  
pp. 1896-1899 ◽  
Author(s):  
Y. Chen ◽  
M. Conway ◽  
J. S. Williams ◽  
J. Zou
Keyword(s):  
Boron Nitride ◽  
Room Temperature ◽  
Boron Nitride Nanotubes ◽  
High Density ◽  
High Yield ◽  
Growth Processes ◽  
Elemental Boron ◽  
Bn Nanotubes

A high quantity and yield (up to 85%) of boron nitride (BN) nanotubes have been produced using a mechanothermal method. Elemental boron powders were first mechanically milled at room temperature in NH3 atmosphere and subsequently heated in N2 gas at 1200 °C for up to 16 h. The BN nanotubes obtained have either multiwalled cylindrical or bamboolike structures, suggesting different growth processes. The high formation yield of BN nanotubes is due to a high density of nanostructured nuclei created by an extensive milling treatment.

Selective Synthesis of Boron Nitride Nanotubes

2011 ◽  
Vol 694 ◽  
pp. 408-412
Author(s):  
Lai Ping Zhang ◽  
Ji Lin Wang ◽  
Guo Wei Zhao ◽  
Zhan Hui Zhang ◽  
Fang Zhang ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Selective Synthesis ◽  
Controllable Synthesis ◽  
Temperature Synthesis ◽  
High Temperature Synthesis ◽  
Transmission Electron ◽  
Bn Nanotubes ◽  
Shs Method

Four types of boron nitride (BN) nanotubes are selectively synthesized by annealing porous precursor in flowing NH3 and NH3/H2 atmosphere at temperature ranging from 1000 to 1200°C in a vertical furnace. The as-synthesized BN nanotubes, including cylinder, wave, bamboo and bubble-chain, are characterized by scanning and transmission electron microscopy. Selectivity of BN nanotubes is estimated as approximately 80 to 95%. The porous precursor B31Fe17(MgO)27 prepared by self-propagation high-temperature synthesis (SHS) method plays a key role in controllable synthesis of the as-grown BN nanotubes. The chemical reaction and annealing mechanism are also discussed.

scholarly journals The relationships between atomic charges and magnetic response properties reflects conductivity of BN nanotubes

2021 ◽  
Author(s):  
Jamshid Najafpour ◽  
Farrokh Roya Nikmaram ◽  
Fatemeh Firooznasab
Keyword(s):  
Boundary Condition ◽  
Boron Nitride ◽  
Periodic Boundary Condition ◽  
Periodic Boundary ◽  
Boron Nitride Nanotubes ◽  
Magnetic Response ◽  
Atomic Charges ◽  
Chemical Shielding ◽  
Response Properties ◽  
Bn Nanotubes

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.

scholarly journals Synthesis of Boron Nitride Nanotubes by Self-Propagation High-Temperature Synthesis and Annealing Method

2010 ◽  
Vol 2010 ◽  
pp. 1-6 ◽  
Author(s):  
Jilin Wang ◽  
Yunle Gu ◽  
Laiping Zhang ◽  
Guowei Zhao ◽  
Zhanhui Zhang
Keyword(s):  
High Temperature ◽  
Boron Nitride ◽  
Average Diameter ◽  
Boron Nitride Nanotubes ◽  
Temperature Synthesis ◽  
High Temperature Synthesis ◽  
Effects Of Temperature ◽  
Temperature Time ◽  
Annealing Method ◽  
Bn Nanotubes

High-quality boron nitride nanotubes were synthesized by annealing porous precursor in flowing NH3gas at 1150°C. The porous precursor B18Ca2(MgO)9was produced by self-propagation high-temperature synthesis (SHS) method using Mg, B2O3, and CaB6as the starting materials, which played an important role in synthesis of BN nanotubes in large quantities. Samples were characterized by SEM, TEM, EDX, HRTEM, X-ray powder diffraction (XRD), Raman, and Fourier transform infrared (FTIR) spectroscopy. The as-synthesized BN nanotubes have an average diameter of about 150 nm with a wall/diameter ratio of 2/3. Mean length of the BN nanotubes was more than 10 μm. The effects of temperature, time, and the possible mechanism of the growth of the BN nanotubes were also discussed.

Theoretical investigations on Zundel cation present inside boron-nitride nanotubes: Effect of confinement and hydrogen bonding

2015 ◽  
Vol 446 ◽  
pp. 127-133 ◽  
Author(s):  
Manoj K. Tripathy ◽  
Naresh K. Jena ◽  
Alok K. Samanta ◽  
Swapan K. Ghosh ◽  
K.R.S. Chandrakumar
Keyword(s):  
Hydrogen Bonding ◽  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Theoretical Investigations

Room-Temperature Tunneling Behavior of Boron Nitride Nanotubes Functionalized with Gold Quantum Dots

2013 ◽  
Vol 25 (33) ◽  
pp. 4544-4548 ◽  
Author(s):  
Chee Huei Lee ◽  
Shengyong Qin ◽  
Madhusudan A. Savaikar ◽  
Jiesheng Wang ◽  
Boyi Hao ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Boron Nitride ◽  
Room Temperature ◽  
Boron Nitride Nanotubes ◽  
Tunneling Behavior

scholarly journals Synthesis and formation mechanism of BN nanotubes catalyzed by Mg through ball milling and annealing process

2021 ◽  
Vol 260 ◽  
pp. 03027
Author(s):  
Yanjiao Li ◽  
Jianfeng Guo ◽  
Xinfeng Wang ◽  
Han Wang ◽  
Xuan He
Keyword(s):  
Boron Nitride ◽  
Ball Milling ◽  
High Purity ◽  
Large Scale ◽  
Stable Process ◽  
Good Method ◽  
Boron Nitride Nanotubes ◽  
High Yield ◽  
Uniform Size ◽  
Bn Nanotubes

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.

Development of Preparation of Boron Nitride Nanotubes

2013 ◽  
Vol 634-638 ◽  
pp. 2140-2143
Author(s):  
Ning Zhang ◽  
Yong Hui Zhou ◽  
Ting Ting Fu ◽  
Hong Min Kan ◽  
Xiao Yang Wang
Keyword(s):  
Boron Nitride ◽  
Boron Nitride Nanotubes ◽  
Synthetic Methods ◽  
Future Research ◽  
Bn Nanotubes

Boron nitride nanotubes attract wide interest because of their unique structures as well as super properties. The structures, properties, synthetic methods and application studies are particularly summarized. Since they were discovered, additionally, the prospects for future research and application are proposed. In this paper, advances in researches on Boron Nitride (BN) nanotubes are reviewed, and some of technologies for preparation of BN nanotubes are described. The tip structures of BN nanotubes produced by different technologies are compared and discussed.

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