Structural properties of Haeckelite nanotubes
نویسندگان
چکیده
The name ‘Haeckelite’ has been proposed to designate a three-fold coordinated network generated by a periodic arrangement of pentagons, hexagons and heptagons (Terrones H et al 2000 Phys. Rev. Lett 84 1716). Starting from a planar Haeckelite array, tubular structures are obtained by applying the same wrapping procedure as for the usual nanotubes, which are rolled up sheets of graphene. This paper is a short review of the structural properties of Haeckelite nanotubes, as investigated by computer molecular modelling. The Haeckelite nanotubes may adopt various shapes, among which coiled structures, doublescrew molecules, corrugated cylinders, and pearl-necklace-like nanotubes are the most spectacular. It is shown that some of these structures may explain exotic forms of C nanostructures revealed by electron microscopy on samples produced experimentally. The identification of the possible Haeckelite structure of a nanotube by electron diffraction and scanning tunnelling microscopy is discussed.
منابع مشابه
Transport properties of carbon nanotubes with odd-numbered carbon rings
We present our results of an accurate and detailed study of the structural and transport properties of the recently proposed Haeckelite carbon nanotubes HCNs using the generalized tight-binding molecular dynamics scheme. The quantum conductance and the current vs voltage I-V curves for the HCNs were calculated using two independent methods: i an embedded form of the surface Green’s function mat...
متن کاملFirst principle study of structural and electronic transport properties for electrically doped zigzag single wall GaAs nanotubes
Emerging trend in semiconductor nanotechnology motivates to design various crystalline nanotubes. The structural and electronic transport properties of single walled zigzag Gallium Arsenide nanotubes have been investigated using Density Functional Theory (DFT) and Non-Equilibrium Green’s Function (NEGF) based First Principle formalisms. Structural stability and enhanced electronic transmission ...
متن کاملFirst principle study of structural and electronic transport properties for electrically doped zigzag single wall GaAs nanotubes
Emerging trend in semiconductor nanotechnology motivates to design various crystalline nanotubes. The structural and electronic transport properties of single walled zigzag Gallium Arsenide nanotubes have been investigated using Density Functional Theory (DFT) and Non-Equilibrium Green’s Function (NEGF) based First Principle formalisms. Structural stability and enhanced electronic transmission ...
متن کاملTheoretical Calculations of the Effect of Finite Length on the Structural Properties of Pristine and Nitrogen-doped Carbon Nanotubes
The effect of impurities on quantum chemical parameters of single-walled nanotubes (SWNTs) was studied using density functional theory (DFT). The density of states (DOS), Fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. It was found that this nanotube remains metallic after being doped with one nitrogen atom. The partial den...
متن کاملAb initio study of the structural, mechanical and thermal properties of (B, Al and Ga)-N nanotubes (4,0)
In this work we use density functional theory based on the ultra-soft pseudo-potential to calculate thestructural, mechanical and thermal properties of narrow single walled BN, AlN and GaN nanotubes.The electron-electron interactions were expressed within the local density approximation (LDA). Wehave also obtained the Phonon dispersion and elastic constants of these nanotubes using the densityf...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2003