Energy optimum chiralities of multiwalled carbon nanotubes

Journal of the American Chemical Society

Volumn 129, Issue 10, 2007, Pages 2730-2731

  Guo, Wanlin ^a   Guo, Yufeng ^a  

^a NANJING UNIVERSITY OF AERONAUTICS AND ASTRONAUTICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

MULTI WALLED NANOTUBE; SINGLE WALLED NANOTUBE;

ARTICLE; CHIRALITY; ENERGY TRANSFER; GEOMETRY; TEMPERATURE;

NANOTUBES, CARBON; PARTICLE SIZE; STEREOISOMERISM; THERMODYNAMICS;

EID: 33947248930     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0662063     Document Type: Article

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15. outer ≤ R + 3.53 Å. A large amount of cases are considered with m/n ranging from 0 to 1 and with a diameter of d = 2R ranging from <1 to 50 nm. For each given inner tube, total energy calculations by use of the revised K-C potential for all of the possible outer tubes with a radius falling in this range are performed. For each matched inner/outer tube pair, interlayer static sliding and rotation with enough small steps are simulated to find the stable interlayer energy of the system.
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