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- W2021822134 abstract "Density functional theory calculations and high-resolution core-level spectroscopy are used to explore the remarkable observation of decreased Ag $3d$ binding energy upon silver oxidation. The shift in Ag $3d$ binding energy is investigated at different degrees of oxidation and compared to results for Pd $3d$, which exhibits a normal shift. Analysis of initial-state effects and valence electronic structure shows that the onsite Ag core potential is insensitive to oxidation despite a clear metal-to-oxygen charge transfer. The substantial negative shift for oxidized Ag is instead attributed to final-state effects as screening of the core-hole occurs in metal $s$ states of bonding character." @default.
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- W2021822134 date "2012-03-29" @default.
- W2021822134 modified "2023-10-01" @default.
- W2021822134 title "Mechanism for reversed photoemission core-level shifts of oxidized Ag" @default.
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- W2021822134 doi "https://doi.org/10.1103/physrevb.85.115445" @default.
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