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• W2145274080 endingPage "29627" @default.
• W2145274080 startingPage "29616" @default.
• W2145274080 abstract "The adsorption and dissociation of CO over stepped Ni and Ni3Fe surfaces were systematically studied using density functional theory slab calculations. Both (211)-like surface structure terminations (NiNi step and NiFe step, denoted as Ni3Fe(211)-AA and Ni3Fe(211)-AB) are considered for Ni3Fe. Direct scission of the C-O bond in CO is identified as the least likely one among the three proposed dissociation pathways and CO dissociation via a CHO intermediate appears to be most feasible at low CO coverage on pure and alloyed Ni(211) surfaces. The priority of H-assisted CO dissociation might originate from the more activated C-O bond in COH and CHO. Compared to Ni(211), the Ni3Fe(211)-AB surface could facilitate CO activation especially for the most possible CHO intermediate mechanism, whose rate-limiting step is found to be altered. The d-band center theory and Mulliken charge analysis are also employed to explain the activity difference between Ni3Fe(211)-AB and Ni3Fe(211)-AA. The significant structural sensitivity of CO dissociation highlights the importance of Fe locating in the step edge and the high reactivity of Ni3Fe(211)-AB is largely ascribed to the synergistic effect between Ni and Fe at the step edge." @default.
• W2145274080 created "2016-06-24" @default.
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• W2145274080 date "2015-01-01" @default.
• W2145274080 modified "2023-10-03" @default.
• W2145274080 title "Direct versus hydrogen-assisted CO dissociation over stepped Ni and Ni₃Fe surfaces: a computational investigation" @default.
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• W2145274080 cites W1970080830 @default.
• W2145274080 cites W1970711764 @default.
• W2145274080 cites W1977643434 @default.
• W2145274080 cites W1978150426 @default.
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• W2145274080 doi "https://doi.org/10.1039/c5cp04335b" @default.
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