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• W2596754744 startingPage "194001" @default.
• W2596754744 abstract "Adsorption of carbon monoxide (CO) was studied on stepped Cu(4 1 0) by temperature programmed desorption (TPD) and density-functional-theory (DFT) calculations. For comparison, the adsorption of CO was characterized also on Cu(1 0 0) by DFT calculations. On Cu(4 1 0) TPD reveals two desorption peaks: a high temperature peak (∼210 K) is attributed to the desorption of CO from step-edge sites and low temperature peak (∼170 K) to desorption from terrace sites. According to DFT calculations, CO prefers to adsorb at step-edges of Cu(4 1 0), although the step-edge versus terrace site preference is rather small at low coverage of 1/16 ML, about 0.05 eV; the respective DFT predicted CO binding energies are -0.89 and -0.84 eV at the step-edge and terrace top sites, whereas the value calculated at top sites of Cu(1 0 0) is -0.86 eV. Although this small step-edge over terrace site preference of 0.05 eV cannot explain the temperature difference of 40 K between the two TPD peaks, when the lateral intermolecular interactions are neglected, it is sufficient that the CO adsorbs almost exclusively at step-edges at low coverage (at 200 K the 0.05 eV corresponds to 3 kT). The emergence of the two TPD peaks on Cu(4 1 0) is therefore attributed to a combination of step-edge preference and lateral repulsion between CO molecules, which increases with increasing coverages and diminishes the net desorption energy of CO. DFT calculations further reveal that the reason for the significant increase of saturation coverage on Cu(4 1 0) compared to Cu(1 0 0) is related to the geometry of the step-edge that allows the CO molecules adsorbed thereon to tilt away from the nearest neighboring CO molecules adsorbed at the terrace and therefore to effectively reduce the lateral repulsion." @default.
• W2596754744 created "2017-03-23" @default.
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• W2596754744 date "2017-04-05" @default.
• W2596754744 modified "2023-10-07" @default.
• W2596754744 title "DFT and TPD study of the role of steps in the adsorption of CO on copper: Cu(4 1 0) versus Cu(1 0 0)" @default.
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• W2596754744 cites W1970237858 @default.
• W2596754744 cites W1974694645 @default.
• W2596754744 cites W1974807192 @default.
• W2596754744 cites W1981368803 @default.
• W2596754744 cites W1982612911 @default.
• W2596754744 cites W1993144765 @default.
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• W2596754744 cites W2011180031 @default.
• W2596754744 cites W2014616489 @default.
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• W2596754744 cites W2031961748 @default.
• W2596754744 cites W2032484532 @default.
• W2596754744 cites W2036113194 @default.
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• W2596754744 cites W2082845877 @default.
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• W2596754744 doi "https://doi.org/10.1088/1361-648x/aa66a3" @default.
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