Vibrational Modes Analysis of Poly (Vinylidene Fluoride-Trifluoroethylene)
LI Ji-Chao, WANG Chun-Lei, ZHONG Wei-Lie, LI Zheng-Fa
School of Physics and Microelectronics, State Key Laboratory of Crystal Materials, Shandong University, Ji’nan 250100
Vibrational Modes Analysis of Poly (Vinylidene Fluoride-Trifluoroethylene)
LI Ji-Chao;WANG Chun-Lei;ZHONG Wei-Lie;LI Zheng-Fa
School of Physics and Microelectronics, State Key Laboratory of Crystal Materials, Shandong University, Ji’nan 250100
关键词 ：
77.80.-e ,
71.15.Pd ,
77.22.GM
Abstract ： The ground state geometry and vibrational modes of poly (vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] molecular chains have been investigated by ab initio molecular orbital calculation. The gauche bonds in P(VDF-TrFE) are introduced by TrFE monomers. The vibrational modes are localized within all-trans segments. These results cause the infrared absorption weaker and diffused, and may be responsible for dielectric relaxation of the copolymers.
Key words ：
77.80.-e
71.15.Pd
77.22.GM
出版日期: 2003-06-01
:
77.80.-e
(Ferroelectricity and antiferroelectricity)
71.15.Pd
(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
77.22.Gm
(Dielectric loss and relaxation)
引用本文:
LI Ji-Chao;WANG Chun-Lei;ZHONG Wei-Lie;LI Zheng-Fa. Vibrational Modes Analysis of Poly (Vinylidene Fluoride-Trifluoroethylene)[J]. 中国物理快报, 2003, 20(6): 921-923.
链接本文:
https://cpl.iphy.ac.cn/CN/
或
https://cpl.iphy.ac.cn/CN/Y2003/V20/I6/921
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