Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1443177 | Synthetic Metals | 2009 | 4 Pages |
Abstract
Variation ground states of pernigraniline-base polymer were investigated with various values of potential parameter V2,0 in an extended Ginder-Epstein model. The results showed that ring-torsion angles and the energy gap reduced with decreasing V2,0. We estimated pressure perpendicular to nitrogen plane of a chain in the polymer by the ring-torsion angles. While V2,0 decreased from 2.0 to 0.8Â eV, our estimated pressure increased from 0 to 9.03Â GPa. The results agree with the experimental observations that electrical conductivity is increasing with applied pressure until a saturated value.
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Physical Sciences and Engineering
Materials Science
Biomaterials
Authors
Yuan-Liang Gao, Jie Liu, Dai-Hui Huang,