Atomistic Simulation of a Two-Dimensional Polymer Tougher Than Graphene

A graphene/polyethylene hybrid 2D polymer, “graphylene”, exhibits a higher theoretical fracture toughness than graphene, while remaining 2× stiffer and 9× stronger than Kevlar®, per mass. Within the base structure of graphylene, the sp3-bonded polyethylene linkages provide compliance for ductile fracture, while the benzene rings contribute to high stiffness and strength. Combining stiff and compliant units to achieve enhanced mechanical performance demonstrates the potential of designing 2D materials at the molecular level.