Title of article :
Torsional structure in poly(para-phenylene vinylene)
Author/Authors :
Fu، نويسنده , , R.T. and Sluiter، نويسنده , , M. and Wu، نويسنده , , C.Q and Sun، نويسنده , , X. and Kawazoe، نويسنده , , Y.، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 1999
Abstract :
A direct approach to calculate the phonon dispersion curves in poly(para-phenylene vinylene, PPV) by using a parameterized tight-binding force constant method is presented. The calculated phonon dispersion curves for the first time show a pronounced soft mode in responding to a specific twisted structure in PPV, in very good agreement with experiments. A torsion angle of 22 ° is predicted in PPV chain, consistent with experimental data in oligomers. I
Keywords :
Molecular dynamics , lattice dynamics , Structural phase transition , poly(phenylene vinylene) and derivatives
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals
