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
Pages
7
From page
171
To page
177
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
Serial Year
2004
Journal title
Synthetic Metals
Record number
2079991
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