The default value for spacing corresponds to the standard distance between layers in crystalline graphite 3. In other projects Wikimedia Commons. This is the core of the CoNTub  program. Nanotube heterojunctions can be generated only with v1. Screenshot of the main view in CoNTub 1. Imposing additional restrictions to the geometry can ease the finding of viable geometries, and this is what is applied in the current version of CoNTub: From Wikipedia, the free encyclopedia.
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The default value for spacing corresponds to the standard contib contub layers in crystalline graphite 3. Therefore, a way to estimate the viability of the junction, even before constructing it, had to be developed. There is always a possible connection between two tubes and strip algebra ensues that the solution is unique and depending only of the indices i,j of both tubes. Strip algebra was implemented,  which allows two perfect carbon nanotubes to be joined, independently of their geometry, radius or chiralitywith the simplest geometry possible, i.
It is the first implementation of contub algorithm for generating 3D structures of arbitrary carbon contub connections by means of the placement of non-hexagonal pentagonal or heptagonal rings, also referred as defects or disclinations. In this case, the set of equations that rule the geometry contub more variables to solve than restrictions, so the possible geometries coontub an infinite set.
CoNTub – Wikiwand
Forcing the tubes connected to be of the same kind, and forcing an additional C 3 symmetry, an automated contub to construct the geometry can be found. MWNT – multiple tubes with the same axis and length contub are created by providing the indices of the most inner tube i,jthe desired length lthe number of shells Nand the approximate distance between shells or contub S in Angstrom. Although the menu item for heterojunction generation appears in the menu, the button is disabled, so NTHJ’s can be only generated with v1.
Molecular modelling software Freeware Science software Java platform software. Although the current version of CoNTub is v2.
Connection between three contub requires, at least, the conntub of six heptagons, instead of the single pentagon and heptagon required for an heterojunction. Its aim is to help in the design and research about new nanotube-based devices. This page was last edited on 16 Marchat Views Read Edit View history. Retrieved from ” https: From Wikipedia, the free contub. ConTub displays the resulting nanotube, as well as its electronic band structure and density of states DOSfollowing a tight contub model.
CoNTub is based on the strip algebraand is able to find the unique structure for connecting two specific and arbitrary carbon nanotubes and many of the possible three-tube junctions.
CoNTub v2.0–algorithms for constructing C3-symmetric models of three-nanotube junctions.
To generate a SWNT, it is only necessary to introduce the indices contub the tube, its desired length Angstromand the type of atom for termination of dangling bonds. The detailed procedure contkb the nanotube construction has been also published.
In other projects Wikimedia Commons. This contuub the core contub the CoNTub  program. Screenshot of the main view in CoNTub 1. Nanotube heterojunctions can be generated only with v1.
The software is a set of tools dedicated to contub construction of complex carbon nanotube structures for use in computational chemistry.
File:Contub v1.0 07.png
Imposing additional restrictions to the geometry can ease the finding of viable geometries, and this is what is applied in the current version contub CoNTub: However, even with these restrictions, the possibilities are still infinite. CoNTub generates the geometry of various types of contub junctions, i. A further implementation of the Strip Algebra has been released in the second version of CoNTub, in order to elucidate the precise location of atoms and rings that lead to a junction of three nanotubes.