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• W2316585890 abstract "We present the density functional calculations for the adsorption of a single platinum (Pt) atom on the 2-fold bridged-oxygen (Ob) covered graphene (graphene oxide, GO). We found the incoming Pt at low kinetic energies prefers to interact with only one Ob and the reaction weakens the coupling of the Ob with the underlying two carbon atoms to give rise to an upward tilted Pt–Oa configuration with the Oa singly connected to one of the underlying carbon (C1L) and leaving a semifilled and lone-paired orbital on the other carbon (C*). The highly reactive and long-lived C* plays an important role determining the energy barriers and branching nature of the subsequent reaction pathways. By being long-lived, reactions of the C* spilt into the early- and late-C* pathways depending when the long-lived C* is participated in the reaction. The early-C* pathways involve direct reactions of the C* with either the Pt or the neighboring carbons with low energy barriers (Ea < 0.3 eV) and give rise to stable local minimum st..." @default.
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• W2316585890 date "2011-05-26" @default.
• W2316585890 modified "2023-10-14" @default.
• W2316585890 title "Adsorption of Single Platinum Atom on the Graphene Oxide: The Role of the Carbon Lattice" @default.
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• W2316585890 doi "https://doi.org/10.1021/jp200280t" @default.
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