The influence of lithium cation doping in polyacence on its conductive property

Authors :: Z.-M. Su
R.-S Wang
X.-D. Jiang
Z.-L. Shi
D.-M. Xie
Z.-H. Huang
Source :: Synthetic Metals. 69:47-48
Publication Year :: 1995
Publisher :: Elsevier BV, 1995.
Abstract: Summary form only given. The lithium cation doping on the surface of polyacene semiconductor (PAS) molecule has been investigated by using quantum chemistry MNDO and CNDO/2 methods. There are two stable adsorption sites for Li over the central sites of C=C bonds and benzene ring group of PAS. The calculation of EHMO-CO energy band structures indicates: after lithium is adsorpted at the hole site on the surface of PAS, the energy gap of system decreases.