Molecular dynamics simulation demonstrates reduced Young's modulus across defect types in graphene sheets, indicating defect engineering can tune mechanical stiffness.
Despite the theoretically outstanding mechanical properties of pristine graphene, fabrication of graphene introduces various defects that may adversely affect these properties. In this study, the effects of Stone–Wales, vacancy and adatom defects on graphene were investigated via a molecular dynamics approach. A tensile test simulation along both armchair and zigzag directions at 300[Formula: see text]K was conducted to provide a comprehensive analysis of Young’s modulus. It was concluded that the presence of these defects led to a lower Young’s modulus in comparison to pristine graphene, also showing a decreasing trend with an increase in density of each defect studied. The study also highlights the differing magnitude of effects on Young’s modulus between the various defects studied, allowing for a better understanding of defect engineering to yield a customised value of Young’s modulus for a sheet of graphene.
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Lim et al. (2026) studied this question.
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