TY - GEN
T1 - Structure and properties of pizeoelctric polymer designed by unsing first principle calculation
AU - Fan, Hui Qing
AU - Wang, Wei Jia
AU - Wang, Zhi Ying
PY - 2008
Y1 - 2008
N2 - 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.
AB - 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.
KW - Density function theory
KW - First principle
KW - Piezoelectric polymer
KW - Structure and property
UR - http://www.scopus.com/inward/record.url?scp=67649644581&partnerID=8YFLogxK
U2 - 10.1109/SPAWDA.2008.4775849
DO - 10.1109/SPAWDA.2008.4775849
M3 - 会议稿件
AN - SCOPUS:67649644581
SN - 9781424428915
T3 - 2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008
SP - 546
EP - 549
BT - 2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008
T2 - 2008 Symposium on Piezoelectricity, Acoustic Waves, and Device Applications, SPAWDA 2008
Y2 - 5 December 2008 through 8 December 2008
ER -