EXCITON TRANSPORT ON COMPUTER-SIMULATED POLYTHIOPHENE STRUCTURES

The formation of polythiophene (PT) fractal-like chains via electroche mical polymerization as well as the fractal dynamics of exciton transp ort along the sites of this polymer have been simulated on a cubic lat tice by tile Monte Carlo (MC) method. Various spatial distributions of conjugated thiophene sequences have been computed that are determined by the number density of conjugated bonds and the probabilities for c onformative traps sind conjugation defects. The conformational defects , represented by cooperative 90 degrees torsional motion of pi bonds i n thiophene oligomers, have been considered to be mobile, thus causing dynamical segmental-site disorder. The mean-square distances of migra ting incoherent electronic excitation have been calculated for differe nt PT structures and conformational defect motion rates.