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• W1646642000 abstract "We report on density functional calculations for CO adsorbed on the Co{101̄0} surface. Energetic and vibrational results for half-monolayer coverage are difficult to interpret, but nevertheless are most consistent with existing experimental evidence for adsorption at atop sites. At monolayer coverage, a clear preference for adsorption at either short-bridge or 3-fold sites emerges. Bond lengths are found to be largely independent of coverage, although increased packing density does lead to a marked molecular tilt, alternating along the surface ridges." @default.
• W1646642000 created "2016-06-24" @default.
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• W1646642000 date "2002-04-01" @default.
• W1646642000 modified "2023-09-25" @default.
• W1646642000 title "Theory of CO adsorption on Co{}" @default.
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• W1646642000 doi "https://doi.org/10.1016/s0039-6028(01)01960-4" @default.
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