| Effect of trifluoroethylene monomers on molecular conformation of poly（vinylidene fluoride-trifluoroethylene） copolymer |
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| 引用本文： | 李吉超,王春雷,钟维烈.Effect of trifluoroethylene monomers on molecular conformation of poly（vinylidene fluoride-trifluoroethylene） copolymer[J].中国物理 B,2004,13(3):344-347. |
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| 作者姓名： | 李吉超 王春雷 钟维烈 |
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| 作者单位： | School of Physics and Microelectronics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China |
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| 基金项目： | Project supported by the State Key Development Program for Basic Research of China (Grant No G1998061408). |
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| 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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| 关 键 词： | Hartree－Fock and B3LYP methods P(VDF-TrFE) molecular chain gauche bond |
| 收稿时间： | 2003-06-11 |
Effect of trifluoroethylene monomers on molecular conformation of poly (vinylidene fluoride-trifluoroethylene) copolymer |
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| Li Ji-Chao,Wang Chun-Lei and Zhong Wei-Lie.Effect of trifluoroethylene monomers on molecular conformation of poly (vinylidene fluoride-trifluoroethylene) copolymer[J].Chinese Physics B,2004,13(3):344-347. |
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| Authors: | Li Ji-Chao Wang Chun-Lei and Zhong Wei-Lie |
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| Institution: | School of Physics and Microelectronics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China |
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| Abstract: | 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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| Keywords: | Hartree－Fock and B3LYP methods P(VDF-TrFE) molecular chain gauche bond |
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