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Related Experiment Videos

Phase equilibria in high energy density PVDF-based polymers.

V Ranjan1, L Yu, Marco Buongiorno Nardelli

  • 1Center for High Performance Simulation and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-7518, USA.

Physical Review Letters
|August 7, 2007
PubMed
Summary
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Polyvinylidene fluoride (PVDF) and its copolymers transform to a polar phase under an electric field. Increasing chlorotrifluoroethylene (CTFE) content in PVDF copolymers lowers the transition field, enabling ultrahigh energy density storage.

Area of Science:

  • Materials Science
  • Polymer Physics
  • Computational Materials Science

Background:

  • Polyvinylidene fluoride (PVDF) and its copolymers are known for their ferroelectric properties.
  • Understanding the phase transitions in these materials is crucial for optimizing their performance in energy storage applications.

Purpose of the Study:

  • To investigate the phase diagrams of PVDF and P(VDF-CTFE) copolymers using first-principles calculations.
  • To elucidate the relationship between copolymer composition, electric field, and phase transitions.
  • To explain the origin of ultrahigh energy density observed in P(VDF-CTFE).

Main Methods:

  • First-principles calculations were employed to model the behavior of PVDF and P(VDF-CTFE) under varying electric fields.
  • Phase diagrams were computed to identify stable nonpolar and polar structures.

Related Experiment Videos

  • The effect of chlorotrifluoroethylene (CTFE) content on the critical electric field for phase transition was analyzed.

    • Main Results:

    • Both PVDF and dilute P(VDF-CTFE) exhibit a preference for nonpolar structures at zero electric field.
    • A transition to a polar phase occurs in these materials below a critical breakdown electric field.
    • The critical electric field for this transition decreases with increasing CTFE content.
    • Disordered P(VDF-CTFE) with a distribution of CTFE concentrations shows a range of polar transitions, leading to ultrahigh energy density.

    Conclusions:

    • The theoretical findings align with experimental observations of high energy density in P(VDF-CTFE) copolymers.
    • First-principles calculations provide a fundamental understanding of the electric-field-induced phase transitions in PVDF-based copolymers.
    • The study highlights the potential of P(VDF-CTFE) for advanced energy storage applications.