3 research outputs found
What one can expect from the research performed on highly conducting polymers
449-452In this introductory paper the practical importance of the experimental and theoretical research on highly conducting polymers is considered. Further, the results of ab initio Hartree-Fock crystal orbital calculations (in some cases corrected also for correlation) on doped and on highly conducting polymers with small gaps (possibility of intrinsic conduction) are reviewed. The theoretical possibilities of improving these band structure calculations to a great extent (good basis set + correlation corrections) due to recent developments in programming are outlined. Finally, the possibilities of using these improved band structures for calculation of electron-phonon interactions (mobility) for soliton and bipolaron studies in these systems and for computing their Auger- and exciton spectra are pointed out. It is concluded that these theoretical developments will lead, within a few years, to the design of new highly conducting polymers with other optimal physical properties ("tailor made polymers") which are necessary to increase their practical applicability to a large extent