Continuum theory for the piezoelectric response of chiral nanotubes under uniaxial and torsional stresses [PDF]
, 2007 We develop and solve a continuum theory for the piezoelectric response of nanotubes under applied uniaxial and torsional stresses. We find that the piezoelectric response is controlled by the chiral angle, the aspect ratio, and two dimensionless ...
Mele, E. J., Michalski, P. J.
core +5 more sources
Pyrrole Adsorption on the Surface of a BN Nanotube: A Computational Study [PDF]
International Journal of New Chemistry, 2014 : Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward pyrrole (C5H6N) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of pyrrole on ...
Maziar Noei +2 more
doaj +1 more source
Are hemispherical caps of boron-nitride nanotubes possible?
, 2004 We report all-electron, density-functional calculations with large Gaussian polarization basis set of the recently synthesized octahedral B24N24 cage that is perfectly round by symmetry, and boron-nitride (BN) clusters that its existence might suggest ...
Andzelm +34 more
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Iron oxide doped boron nitride nanotubes: structural and magnetic properties
, 2010 A first-principles formalism is employed to investigate the interaction of iron oxide (FeO) with a boron nitride (BN) nanotube. The stable structure of the FeO-nanotube has Fe atoms binding N atoms, with bond length of roughly $\sim$2.1 \AA, and binding ...
Alan B de Oliveira +9 more
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Raman Spectroscopy Of Boron Nitride Nanotubes And Boron Nitride — Carbon Composites [PDF]
AIP Conference Proceedings, 2005 Boron nitride nanotubes (BN-NT) are topological analoges to single wall carbon nanotubes (SWCNT). We analysed and refined the filling process for SWCNTs and applied it to the BN-NTs. BN-NTs were first annealed in air to open the ends and to remove BN particles. A filling procedure with C60 fullerene via vapour phase was applied.
Hasi, F. +4 more
openaire +3 more sources
, 2018 Single-layer and bilayer carbon and hexagonal boron nitride nanoscrolls as well as nanoscrolls made of bilayer graphene/hexagonal boron nitride heterostructure are considered.
Knizhnik, Andrey A. +7 more
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Modulating Band Gap and HOCO/LUCO Energy of Boron-Nitride Nanotubes under a Uniform External Electric Field [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2017 In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first ...
Jamshid Najafpour
doaj
Mechanical Properties of Phosphorene Nanotubes: A Density Functional Tight-Binding Study
, 2016 Using density functional tight-binding method, we studied the elastic properties, deformation and failure of armchair (AC) and zigzag (ZZ) phosphorene nano tubes (PNTs) under uniaxial tensile strain.
Sorkin, V., Zhang, Y. W.
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A Brief Review on Syntheses, Structures and Applications of Nanoscrolls [PDF]
, 2014 Nanoscrolls are papyrus-like nanostructures which present unique properties due to their open ended morphology. These properties can be exploited in a plethora of technological applications, leading to the design of novel and interesting devices.
Galvao, D. S., Machado, L. D., Perim, E.
core +3 more sources
Boron Nitride Monolayer: A Strain-Tunable Nanosensor
, 2013 The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory.
A. Sadeghi +40 more
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