Exceptional potential of laser-induced graphene for self-healing applications

Laser-induced graphene (LIG), synthesised from polyimide, exhibits exceptional potential for self-healing applications owing to its unique thermal and mechanical properties. This study employed molecular dynamics simulations using the ReaxFF reactive force field to investigate LIG’s self-healing mechanisms of LIG under varying temperatures, pressure, and defect conditions. The results demonstrate that LIG can autonomously repair structural damage, restoring approximately 23 % of its original carbon-carbon bonds after tensile-induced fractures at 300 K and 0 atm pressure. For pristine graphene, high temperatures enable defect healing by overcoming energy barriers, allowing lattice reconstruction with carbon atom sources. In contrast, this study shows that such a mechanism is incorrect for LIG, highlighting a distinct self-healing behavior and marking a key conclusion of this research. Conversely, increased pressures (e.g., 0.1 atm) hinder the healing efficiency by restricting atomic movement, resulting in lower bond restoration rates. Simulations also reveal that the stress distribution in damaged LIG becomes more uniform post-healing at optimal conditions, enhancing material durability. These findings underline LIG’s capability to recover structural integrity autonomously, providing a foundation for its use in high-performance, durable materials for applications in electronics, nanodevices, and composite materials.