It was demonstrated from the molecular orbital theory that (formula presented) in which at least one H atom on the end of poly(para-phenylene) (PPP) is replaced by (formula presented) group of the chain, provides nearly zero band gaps in the long chains with (formula presented) This behavior was explained by the band overlap leading to metallic characteristics from the perspective of the intermolecular interaction between ethylene units in the oligomer.
|Number of pages||4|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - Jan 1 2002|
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics