Fig. 2: The nanofiller effect on the charge behaviors of polymer nanocomposites. | npj Computational Materials

Fig. 2: The nanofiller effect on the charge behaviors of polymer nanocomposites.

From: Designing polymer nanocomposites with high energy density using machine learning

Fig. 2

a Schematic of four possible mechanisms influencing charge behaviors in polymer nanocomposites with polymer matrix in yellow, nanofillers in green, and electrodes in blue. The cross-sectional electron density of polymer nanocomposites with (bd) one nanoparticle, (eg) one vertical nanofiber, (hj) one parallel nanofiber, (km) one vertical nanosheet, and (np) one parallel nanosheet, based on Schottky injection process with 0.02 s, 0.1 s, and 0.2 s. The applied electric field is 500 MV m−1 and the Schottky barrier is fixed at 1.0 eV. The mobility in the polymer matrix and the nanofillers are set at 1.0 × 10−11 and 0.1 cm2 V−1 s−1, respectively. The out-of-plane mobility of nanosheets is set to an ultralow value to reflect the anisotropy of charge transport.

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