Paper Title:
First Principle Investigation of Structural Properties of Potassium Doped Fullerene Clusters – Kn(C60)2
  Abstract

First principle simulations for the nanosystems Kn(C60)2, (n = 1, 2) composed of two fullerene (C60) molecules and one or two potassium (K) atoms have been undertaken. A very effective delocalization of the 4s1 valence electron of potassium was observed, the potassium atom in practice becomes an ion. The adsorption binding energy of potassium atom(s) is Ea = - 1.923 ± 0.04 eV, - 3.819 ± 0.04 eV for K(C60)2 and K2(C60)2, respectively. The reported large values of adsorption energy should cause a significant change in electronic properties of alkali doped fullerene clusters.

  Info
Periodical
Solid State Phenomena (Volume 140)
Edited by
Witold Łojkowski and John R. Blizzard
Pages
77-80
DOI
10.4028/www.scientific.net/SSP.140.77
Citation
M. Sokół, Z. Gburski, "First Principle Investigation of Structural Properties of Potassium Doped Fullerene Clusters – Kn(C60)2", Solid State Phenomena, Vol. 140, pp. 77-80, 2008
Online since
October 2008
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$32.00
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