Title of article :
Bandgap calculations for conjugated polymers
Author/Authors :
Yang، نويسنده , , Shujiang and Olishevski، نويسنده , , Pavel and Kertesz، نويسنده , , Miklos، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 2004
Abstract :
Various molecular and solid state quantum chemical methods are compared for their performance in predicting the bandgaps of conjugated polymers. Extrapolations based on oligomers provide an alternative way to calculate bandgaps. A combination of semi-empi
Keywords :
Bandgap engineering , conducting polymers , Oligomers , Exchange , Density functional theory
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals
