Modeling effect of ferroelectric nanofiller size on bipolar charge transport in nanocomposite film

Abstract

Bipolar charge injection and field-dependent mobility transport through nanocomposite film comprised of ferroelectric ceramic nanofillers in an amorphous polymer matrix is simulated using a 3D particle-in-cell model which extends the classical electrical double layer by substitution of a dipolar core for the nanofiller. The stability criterion of the explicit algorithm conforms to the Courant–Friedrichs–Levy limit. Simulation results for BaTiO3 nanofiller in amorphous polymer matrix indicate that antiparallel polarization results in the highest leakage conduction and lowest level of charge trapping in the interaction zone. Theoretical considerations validated simulation prediction in identifying a size range of 80 to 100 nm to minimize attachment and maximize conduction. The largest difference is in attached charge in the antiparallel case where fractions go from 2.2 to 97% as nanofiller size is decreased from 150 to 60 nm. Computed conductivity of 0.4 × 10−14 S/cm is in agreement with published data for PVDF. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 1380–1390