Density functional theory and molecular dynamics studies of the energetics and kinetics of electroactive polymers : PVDF and P(VDF-TrFE)

We used first principles methods to study static and dynamical mechanical properties of the ferroelectric polymer poly(vinylidene fluoride) (PVDF) and its copolymer with trifluoro ethylene (TrFE). We use density functional theory [within the generalized gradient approxi...

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Bibliographic Details
Main Authors: Su, Haibin, Strachan, Alejandro, Goddard III, William A.
Other Authors: School of Materials Science & Engineering
Format: Journal Article
Language:English
Published: 2011
Subjects:
Online Access:https://hdl.handle.net/10356/92218
http://hdl.handle.net/10220/6863