University of Connecticut University of UC Title Fallback Connecticut

Soft electroactive materials: polymers, oligomers, molecular crystals and cocrystals

Only a few pictures here for now:

Figure: The structure of the crystalline phase of β-PVDF. The polar-covalent nature of the F-C and C-H bonds leads to polarization in the VDF monomer, directed perpendicular to the carbon backbone; dF-C and dC-H are the bond-dipole moments.


Figure: Maximally Localized Wannier Functions (MLWFs) and their charge centers computed for an isolated infinite β-PVDF chain. (a) Diamonds mark the positions of the MLWF charge centers on the chain. (b–d) Typical MLWFs localized on carbon-carbon, carbon-fluorine, and carbon-hydrogen bonds, respectively.




















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Figure: Averaged z-axis component of the VDF unit dipole moment in an infinite β-PVDF chain as the chains are brought together to form a crystal.

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