Author/Authors :
Su، نويسنده , , Z.-M. and Wang، نويسنده , , R.-S and Jiang، نويسنده , , X.-D. and Shi، نويسنده , , Z.-L. and Xie، نويسنده , , D.-M. and Huang، نويسنده , , Z.-H.، نويسنده ,
Abstract :
The lithium cation doping on the surface of polyacene semiconductor (PAS) molecule has been investigated bt MNDO and CNDO/2 methods. There are two stables adsorption sites for Li over central sites of CC bonds and benzene ring of PAS. The calculation of EHMO-CO energy band structures indicates; after lithium is adorbed at the hole site, the energy gap decreases.
