Simulation of the Formation of Electric Double Layers at PE/Cu Interfaces and Its Impact on Charge Transfer Phenomena.

The electric double layer (EDL) at the copper/polyethylene (Cu/PE) interface critically affects space charge injection and insulation performance of high-voltage cables and their accessories, yet its molecular-level regulation remains unclear. This study systematically investigates the effects of different EDL structures on the potential distribution and interfacial barrier at the Cu/PE interface using first-principles calculations. The results show that the EDL-induced built-in electric field significantly modulates the potential of the PE layer, while the Cu layer remains largely unaffected. When the Cu side is positively charged and PE negatively charged, the EDL increases the interfacial barrier, suppressing charge injection and restricting PE molecular diffusion. Conversely, an EDL with negatively charged Cu and positively charged PE lowers the barrier, promotes charge injection, and enhances the diffusion of PE molecules. Notably, Na-induced EDL enhances PE diffusivity, whereas F-induced EDL restricts molecular motion. This work elucidates the regulatory mechanisms of EDL on both electronic and kinetic properties at the Cu/PE interface, providing a theoretical foundation for improving high-voltage cable insulation.