Computational Chemistry · Toolkit
Carbon Nanotube Generator
(n,m) SWCNT structures with optional single-atom catalyst sites — live preview · export as CIF
01 · Parameters
Index n
Index m
C–C bond length / Å
Axial length mode
Auto · target length
Manual · cell count
Target length / Å
Vacuum / Å
Modification
Framework
None (pristine)
M–N₄ single-atom catalyst
N-doping (substitutional)
Metal center
Co · Cobalt
Fe · Iron
Ni · Nickel
Cu · Copper
Mn · Manganese
Zn · Zinc
Cr · Chromium
V · Vanadium
Ti · Titanium
Sc · Scandium
Mo · Molybdenum
Ru · Ruthenium
Rh · Rhodium
Pd · Palladium
Ag · Silver
W · Tungsten
Ir · Iridium
Pt · Platinum
Au · Gold
Number of sites
Download CIF
Armchair
: n = m
Zigzag
: m = 0
Chiral
: otherwise
Co-N₄ model
: 2C divacancy + 4N substitution + Co adatom
02 · Structure Preview
drag · scroll to zoom
Auto Rotate
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03 · Structure Info
Diameter
—
Å
Radius
—
Å
Chiral angle
—
°
|T|
—
Å
Atoms / cell
—
Total atoms
—
Cell a × b × c
—
Å
Composition
—
Electronic character
—
Element legend