Computational studies of gas–carbon nanotube collision dynamics

文献情報

出版日 2002-08-07

DOI 10.1039/B200581F

インパクトファクター 3.676

著者

Kim Bolton, Arne Rosén

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要旨

Molecular dynamics simulations of collisions between gas particles and carbon nanotubes at elevated temperatures show that low frequency thermal vibrations of the nanotube dominate the scattering dynamics and that particle–tube energy transfer in the tube radial direction is far more efficient than that in the axial direction. The dominant role of the tube's thermal fluctuations reduces the importance of other collision parameters such as collider mass and collider–tube interaction strengths, and xenon, neon, helium and hydrogen particles all have similar collision dynamics and high scattering probabilities. At 1300 K, which is the temperature used in catalytic chemical vapour deposition single-walled nanotube growth, hydrogen molecules scatter from the tube while carbon atoms are efficiently trapped on the tube surface.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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