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We report first-principles calculations on the structural, mechanical, and electronic properties of O₂ molecule adsorption on different graphenes (including pristine graphene (G–O₂), N(nitrogen)/B(boron)-doped graphene (G–N/B–O₂), and defective graphene (G–D–O₂)) under equibiaxial strain. Our calculation results reveal that G–D–O₂ possesses the highest binding energy, indicating that it owns the highest stability. Moreover, the stabilities of the four structures are enhanced enormously by the compressive strain larger than 2%. In addition, the band gaps of G–O₂ and G–D–O₂ exhibit direct and indirect transitions. Our work aims to control the graphene-based structure and electronic properties via strain engineering, which will provide implications for the application of new elastic semiconductor devices.