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• W2897499794 startingPage "1850304" @default.
• W2897499794 abstract "The influence of vacancy and dopants on the adsorption of O 2 molecule on graphene was explored by using the density functional theory (DFT) method. The results indicated that the presence of vacancy-defect improved the sensitivity of graphene toward the O 2 molecule. Furthermore, the two O atoms of O 2 molecule separately formed chemical bonds with C atoms at the defect sites. After introducing the transition-metal (TM) dopants, the O–O bond length of O 2 molecule was enlarged by the adsorption on the surface of graphene. Furthermore, the Mn-doped adsorption complexes became magnetic, which was mainly contributed by the O-2p and Mn-3d orbitals." @default.
• W2897499794 created "2018-10-26" @default.
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• W2897499794 date "2018-10-30" @default.
• W2897499794 modified "2023-09-25" @default.
• W2897499794 title "Adsorption behavior of O₂ on vacancy-defected graphene with transition-metal dopants: A theoretical study" @default.
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• W2897499794 doi "https://doi.org/10.1142/s0217979218503046" @default.
• W2897499794 hasPublicationYear "2018" @default.
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