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• W1978331114 abstract "Using density-functional theory, we predict that the oxidation of the Ru(0001) surface proceeds via the accumulation of sub-surface oxygen in two-dimensional islands between the first and second substrate layer. This leads locally to a decoupling of an O-Ru-O trilayer from the underlying metal. Continued oxidation results in the formation and stacking of more of these trilayers, which unfold into the RuO_2(110) rutile structure once a critical film thickness is exceeded. Along this oxidation pathway, we identify various metastable configurations. These are found to be rather close in energy, indicating a likely lively dynamics between them at elevated temperatures, which will affect the surface chemical and mechanical properties of the material." @default.
• W1978331114 created "2016-06-24" @default.
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• W1978331114 date "2002-04-03" @default.
• W1978331114 modified "2023-10-18" @default.
• W1978331114 title "Metastable precursors during the oxidation of the Ru(0001) surface" @default.
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• W1978331114 doi "https://doi.org/10.1103/physrevb.65.165403" @default.
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