Structure and properties of pizeoelctric polymer designed by unsing first principle calculation

Hui Qing Fan, Wei Jia Wang, Zhi Ying Wang

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The internal rotations (of dimer models), geometries, energies, vibration spectra, dipole moments and molecular polarizabilities of poly (vinylidene fluoride) (PVDF) of -α and β -chain models were studied with the first principle density functional theory (DFT). Electric properties of PVDF affected by chain lengths were examined. The chain length was also discussed to determine the chain stabilities and conformations, which are coincided with the experimental results.

Original languageEnglish
Title of host publication2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008
Pages546-549
Number of pages4
DOIs
StatePublished - 2008
Event2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008 - Nanjing, China
Duration: 5 Dec 20088 Dec 2008

Publication series

Name2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008

Conference

Conference2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008
Country/TerritoryChina
CityNanjing
Period5/12/088/12/08

Keywords

  • Density function theory
  • First principle
  • Piezoelectric polymer
  • Structure and property

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