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Nanotube Chiral Indices Matching a Given Diameter or Metallicity

version 1.0.0.0 (4.43 KB) by Steven Shimizu
Outputs carbon nanotube chiral indices matching a given diameter/range and metallicity

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Updated 28 Feb 2014

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This function returns a 4-column array of chiral indices [n, m, diameter (in nm), metallicity (metal = 1, semiconducting = 0)] which closely match an input carbon nanotube diameter, d. Additionally, it will filter out chiralities if you specify whether the tube should be metallic, semiconducting or both. The user can also specify the range of valid diameters to choose from (default is d +/- 0.1 nm).

Duplicate chiralities (e.g. (6,5) and (5,6)) are discarded so only one unique chirality remains in the list.

The function declaration is:
chiralIndices = findCNTChiralIndices(d,findMetallic,deltad).

findMetallic is an input to tell the program to find metallic (=1), semiconducting (=0), or both (=-1, default).

Examples:
1. Find chiral indices that fit in a diameter range of 0.7 +/- 0.1 nm.

>> chiralIndices = findCNTChiralIndices(0.7)

chiralIndices =

4 5 0.6116 0
3 6 0.6215 1
0 8 0.6264 0
2 7 0.6409 0
1 8 0.6690 0
5 5 0.6781 1
4 6 0.6826 0
3 7 0.6960 0
0 9 0.7047 1
2 8 0.7177 1
1 9 0.7470 0
5 6 0.7470 0
4 7 0.7551 1
3 8 0.7712 0
0 10 0.7830 0
2 9 0.7947 0

2. Find chiral indices of metallic tubes in a diameter range 1.5 +/- 0.02 nm.

>> chiralIndices = findCNTChiralIndices(1.5,0,0.02)

chiralIndices =

0 19 1.4878 0
5 16 1.4878 0
2 18 1.4939 0
10 12 1.4939 0
9 13 1.5001 0
4 17 1.5123 0

Cite As

Steven Shimizu (2020). Nanotube Chiral Indices Matching a Given Diameter or Metallicity (https://www.mathworks.com/matlabcentral/fileexchange/45722-nanotube-chiral-indices-matching-a-given-diameter-or-metallicity), MATLAB Central File Exchange. Retrieved .

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MATLAB Release Compatibility
Created with R2013a
Compatible with any release
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