Advanced search

Found 1 essay matching the above criteria.

1. 1. Theoretical studies of optical absorption in low-bandgap polymers

   University essay from Institutionen för fysik, kemi och biologi

   Author : Daniel Karlsson; [2005]
   Keywords : ZINDO; Density functional theory; Hartree Fock method; Low bandgap polymers; Absorption spectra; Semi empirical methods; Plastic solar cells;

   Abstract : The absorption spectra of a recently designed low-bandgap conjugated polymer has been studied using the semi-empirical method ZINDO and TDDFT/B3LYP/6-31G. The vertical excitation energies have been calculated for monomer up to hexamer. READ MORE