A molecular dynamics study of the clustering of implanted potassium in multiwalled carbon nanotubes

J. Kotakoski*, A. V. Krasheninnikov, K. Nordlund

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

16 Citations (Scopus)


We have studied the low energy irradiation of carbon nanotubes (CNT) with K ions using classical molecular dynamics simulations with analytical potentials. The studied CNTs had diameters of about 0.5-1.2 nm and single or multiple walls. The average penetration depth and probabilities to introduce an impurity atom into CNT were studied with simulations on irradiating the CNT with single K ion. The number of potassium clusters, their average sizes and the damage produced into the CNT due to the irradiation were studied using multiple K ion irradiations. We found that the K ions are mobile in CNTs right after the implantation event and that they cluster together. For CNTs with 1-3 coaxial tubes, the highest ratio of K atoms in clusters per total number of K ions was obtained by using an irradiation energy of about 100 eV. Also the least damage per K ion was found to be produced into the CNT with this energy when those energies high enough for the ion to penetrate the outermost wall of the CNT were considered.

Original languageEnglish
Pages (from-to)810-818
Number of pages9
JournalNuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Issue number4
Publication statusPublished - 1 Dec 2005
MoE publication typeA1 Journal article-refereed


  • Doping
  • Ion irradiation
  • Molecular dynamics
  • Nanotube
  • Potassium


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