نتایج جستجو برای: boron nitride cage

تعداد نتایج: 42349  

1999
Rodney W. Trice John W. Halloran

The microstructure and interfacial fracture energy of silicon nitride/boron nitride fibrous monoliths, GBN, were determined as a function of starting silicon nitride composition and temperature using the method described by Charalambides. The glassy phase created by the sintering aids added to the silicon nitride cells was shown to migrate into the boron nitride cell boundaries during hot-press...

Journal: :Nano letters 2011
Ashwin Ramasubramaniam Doron Naveh Elias Towe

We investigate band gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, we show that the gap is continuously tunable from 0 to 0.2 eV and is robust to stacking disorder. Moreover, boron nitride sheets do not alter the fundamental response from that of free-standing bilayer graphene, apart from additional screening....

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

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Effect of CaCO3 on carbothermic formation of hexagonal boron nitride (h-BN) was investigated. B2O3–C mixtures containing CaCO3 additive were reacted at 1500   for 120 min in nitrogen atmosphere. Formed phases in the reaction products were determined by powder-XRD analyses, and amounts of the constituents were determined by chemical analyses. Particle size and morphology of the formed h-BN powde...

Journal: :Chemical communications 2014
Runqing Li Jingquan Liu Luhua Li Hongbin Wang Ziqing Weng Simon K H Lam Aijun Du Ying Chen Colin J Barrow Wenrong Yang

Boron nitride nanotubes were functionalized with microperoxidase-11 in aqueous media, showing improved catalytic performance due to a strong electron coupling between the active centre of microperoxidase-11 and boron nitride nanotubes.

To determine the non-bonded interaction between methyl benzoate and boron nitridenanotube, we focused on an armchair single-wall boron nitride nanotube (9,9) With length 5 angstroms.The geometry of molecules was optimized using B3LYP method with 6-31g* basis set. Also reactivityand stability of methyl benzoate and boron nitride nanotube (9,9) was checked. Then NBO, FREQ,...

Journal: :ACS nano 2013
Gang Hee Han Julio A Rodríguez-Manzo Chan-Woo Lee Nicholas J Kybert Mitchell B Lerner Zhengqing John Qi Eric N Dattoli Andrew M Rappe Marija Drndic A T Charlie Johnson

Graphene-boron nitride monolayer heterostructures contain adjacent electrically active and insulating regions in a continuous, single-atom thick layer. To date structures were grown at low pressure, resulting in irregular shapes and edge direction, so studies of the graphene-boron nitride interface were restricted to the microscopy of nanodomains. Here we report templated growth of single cryst...

2014
R. Mary Jamila V. Ravichandran V. Narayanan

One dimensional boron nitride nanostructures promise many interesting applications in biomedical, semiconductor and hydrogen storage and other fields. We have synthesized Boron Nitride in various nanoforms by a high temperature solid state reaction between boric acid and urea in a commercial microwave furnace. The formation of boron nitride was established from the binding energies for boron an...

In this study explosive substance [2.4.6] three Nitro Toluene (TNT) was attached with nanostructures of fullerene (C24) and boron nitride nano-cages (B12N12). After that using B3LYP (Becke, three-parameter, Lee-Yang-Parr), a method from density functional theory (DFT), thermodynamic parameters of TNT with foregoing nanostructures, in different conditions of temperature, were computed. To this a...

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