中国物理B ›› 2004, Vol. 13 ›› Issue (3): 344-347.doi: 10.1088/1009-1963/13/3/014
• ATOMIC AND MOLECULAR PHYSICS • 上一篇 下一篇
李吉超, 王春雷, 钟维烈
Li Ji-Chao (李吉超), Wang Chun-Lei (王春雷), Zhong Wei-Lie (钟维烈)
摘要: Hartree-Fock and density functional theory (DFT) methods were employed to study poly (vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] molecular chains with different VDF contents. The dependence of dipole moment of P(VDF-TrFE) chains on VDF content obtained from our calculation is in good agreement with the experiment. The TrFE monomer plays an important role in introducing the gauche bond into copolymer chains. A possible mechanism was interpreted.
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