Recovery from mechanical degradation of graphene by defect enlargement

Abstract

The extraordinary properties of graphene have made it an elite candidate for a broad range of emerging applications since its discovery. However, the introduction of structural defects during graphene production often compromises the theoretically predicted performance of graphene-based technologies to a great extent. In this study, a counterintuitive defect enlargement strategy to recover from defect-induced mechanical degradation is explored, of which the realization may lead to an enhanced operating efficiency and manufacturing feasibility. Our molecular-dynamics simulation results show that the enlargement of a preexisting defect to an elliptical shape can potentially recover from the mechanical degradation that the very defect has caused. For a defective graphene sheet having a failure strain of 48% of the pristine graphene sheet, enlarging the defect can enhance the failure strain up to 80% of the pristine graphene sheet. The mechanism of degradation recovery lies in a reduced change in curvature during deformation, which is further solidified by theoretical quantification and stress-field analysis. This theory can also predict and pinpoint the location of the initiation of the fracture—where the curvature changes most significantly during the deformation. In addition, the influence of an elliptical defect on the mechanical properties of a graphene sheet is systematically studied, which is not well understood today. Finally, the degradation recovery potential of defect of various sizes is examined, showing that the initial defect that can create the highest degree of geometric asymmetry has the best potential for degradation recovery. This study investigates the recovery from defect-induced mechanical degradation and the influence of elliptical defects on the mechanical properties of a graphene sheet, which widens our understanding of the possibility of fine-tuning mechanical properties via defect engineering and has the potential to improve materials for emerging technologies such as supercapacitor devices.