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- W2024254537 abstract "The time correlation between the electron dynamics and the ion dynamics on the dissociative adsorption of oxygen molecules on a platinum surface and a gold surface modeled by a cluster has been investigated using the Ehrenfest TDDFT molecular dynamics method. It is found that the electron transfer from the surface to O2 occurs more easily on the Pt(0 0 1) surface than on the Au(0 0 1) surface, and that the transfer of one electron from Pt to O2 is completed when the O2 reaches ∼1.6 Å from the Pt surface." @default.
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- W2024254537 date "2010-02-01" @default.
- W2024254537 modified "2023-09-30" @default.
- W2024254537 title "Real-time electron dynamics simulation of the adsorption of an oxygen molecule on Pt and Au clusters" @default.
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- W2024254537 doi "https://doi.org/10.1016/j.cplett.2009.12.094" @default.
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