Investigation of Charge Accumulation and Decay Processes in Epoxy-Based Composites Using Quantum Chemical Calculations Under the Effect of Electric Field.

This work investigates the influence of aluminum nitride (AlN) fillers on the charge dynamics of epoxy resin (EP) and its hybrid composites through space charge measurements and quantum chemical calculations (QCCs). QCCs analyze the energy-level orbitals and trap parameters of the molecules under the electric field. The pure EP exhibits a homo-charge accumulation, whereas fewer charges are accumulated in the EP hybrid composites. The AlN filler addition significantly suppresses the space charge accumulation during polarization and facilitates the charge dissipation during the depolarization due to the lower trap density than the pure EP. It is found that the orbital energy level of the combined reaction of all monomers together is not a simple superposition of individual orbital energy levels of different monomers. The increased charge injection barrier height suppresses space charge injection and accumulation. The electric field significantly influences the hole traps more than the electron traps. The positive charges with low mobility are easily trapped inside hole traps compared with the negative charges with high mobility inside the electron traps. This results in positive charge accumulation during the polarization and slow decay during the depolarization. The increase of the electrostatic potential is more uniform in hybrid composites than in the pure EP, and no visible electron migration is observed. It indicates that hybrid composites remain stable under electric fields. Moreover, it is not easy for the hole to transport due to the deep trap after the charge injection, leading to limited visible space charge accumulation near the anode. [ABSTRACT FROM AUTHOR]