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• W1998508772 endingPage "1057" @default.
• W1998508772 startingPage "1046" @default.
• W1998508772 abstract "Abstract Using first principles density functional theory calculations, we have studied the adsorption of carbon monoxide (CO) on clean, Ag and Pd doped MgO(001), TiO 2 (110), and α ‐Al 2 O 3 (0001) surfaces. Our results show that adsorption of CO on the clean surfaces is generally weak. Ag doping improves the adsorption only weakly, except on the TiO 2 surface. The presence of Pd, however, significantly improves adsorption on all the surfaces studied. On the doped surfaces, the best adsorption sites are always the sites on top of the transition metal adatom, and the interaction range is 3–4 Å around an isolated adatom." @default.
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• W1998508772 date "2012-01-05" @default.
• W1998508772 modified "2023-10-17" @default.
• W1998508772 title "CO adsorption on metal-oxide surfaces doped with transition-metal adatoms" @default.
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• W1998508772 doi "https://doi.org/10.1002/pssb.201147334" @default.
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