Ionic Cohesion and Electron-Doping of Thin Carbon Tubules with Alkali Atoms
Physical Review Letters 74, 2993 - 2996 (1995)
Ionic Cohesion and Electron-Doping of Thin Carbon Tubules with Alkali Atoms
Cohesion properties between carbon nanotubules and potassium atoms are studied using a first-principles total-energy and band-structure approach. The present calculations which assume linearly aligned arrangements of K atoms inside and outside of tubules suggest that the classical wetting picture of capillary action is not applicable on a microscopic scale. Charge transfer occurs from the K atoms to the tubule resulting in ionic cohesion. The energy barrier for sliding motion of the K atoms is found to be comparable to that of K diffusion in graphite intercalated compounds. The possibility of superconductivity of doped tubules is also discussed.
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- http://dx.doi.org/10.1103/PhysRevLett.74.2993