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- W2074451812 abstract "We compare the adsorption of Ni, Pd, and Pt on the Al-terminated (0001) surface of α-Al2O3 at 1/3 ML coverage using first principle methods. Although belonging to the same group in the periodic table, Ni has a different adsorption site from Pd and Pt: while Pd and Pt adsorb on the top of a surface oxygen atom, Ni adsorbs at a hollow site between three oxygen atoms. The difference can be due to the smaller atomic radius and the emptier d band of Ni leading to stronger interactions between the three O atoms beneath. Nevertheless, owing to electrostatic factors and different metal−aluminum binding characteristics, Ni has a lower binding energy to the surface than Pt, but higher than Pd." @default.
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- W2074451812 date "2008-11-08" @default.
- W2074451812 modified "2023-09-29" @default.
- W2074451812 title "Comparison of the Adsorption of Ni, Pd, and Pt on the (0001) Surface of α-Alumina" @default.
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- W2074451812 doi "https://doi.org/10.1021/jp803540r" @default.
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