Abstract Submitted to the    NANOTUBE'04 Conference:

Some results are presented for the adsorption of a lithium atom inside or outside a (6,6) carbon nanotube. The results includes besides the static calculations a few more with relaxation of the lithium atom. Other results are given for the simultaneous approach of two or four lithium atoms in perpendicular direction to the axis nanotube. The FHI96MD code was used with the LDA (local density approximation) for the exchange and correlation contributions to the energy to do the calculations. The distance between the axis of adjacent carbon nanotubes has been fixed to almost 27 a.u. to study the interaction of one lithium atom with only a unit cell along the axis of the carbon nanotube. The preferable sites for lithium adsorption are shown in each case.