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• W1989751569 abstract "The adsorption of carbon monoxide (CO) on zinc oxide is important to a number of industrial processes. We report here density-functional calculations of CO binding geometries, adsorption energies, and vibrational frequencies on the polar Zn-terminated ZnO(0001) surface. Our results illuminate a surprising complexity in the adsorbate-surface and adsorbate-adsorbate interactions of this model surface science system, revealing that the nature of the bonding is highly dependent on CO coverage and surface oxidation state." @default.
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• W1989751569 date "2010-10-01" @default.
• W1989751569 modified "2023-09-27" @default.
• W1989751569 title "Coverage and charge-state dependent adsorption of carbon monoxide on the zinc oxide (0001) surface" @default.
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• W1989751569 doi "https://doi.org/10.1103/physrevb.82.165401" @default.
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