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- W2005647569 abstract "The surface embedded Green function (SEGF) method has been used to perform self-consistent calculations of the surface electronic structure of p(1 × 1) oxygen on Pt(001). The calculated O/Pt(001) work function is increased by 1.19 eV over the 5.92 eV previously obtained for clean Pt(001)(1 × 1). Both are in very good agreement with the experimental values of 1.0 ± 0.1 and 5.9 ± 0.1 eV, respectively. Our calculated difference-DOS curve is in good agreement with UPS difference spectra. Calculated surface state / surface resonance bands are compared with those obtained for Pt(001)(1 × 1) and for an isolated oxygen monolayer. Total and difference charge density plots are used to illustrate details of O-Pt bonding. Analysis of the surface charge density shows a reduction of surface stress upon oxygen chemisorption, indicating oxygen stabilization of the (1 × 1) phase." @default.
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- W2005647569 date "1992-01-01" @default.
- W2005647569 modified "2023-09-27" @default.
- W2005647569 title "The surface electronic structure of oxygen on Pt(001)(1 × 1)" @default.
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- W2005647569 doi "https://doi.org/10.1016/0039-6028(92)90232-u" @default.
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