Evidence for two states of chemisorbed oxygen on Ni(100)

Thomas H. Upton; William A. Goddard

doi:10.1103/PhysRevLett.46.1635

Evidence for two states of chemisorbed oxygen on Ni(100)

Thomas H. Upton
, William A. Goddard

Corporate Research-Science Laboratories
ExxonMobil Research and Eng. Company
Arthur Amos Noyes Laboratory of Chemical Physics
California Institute of Technology

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

113 Citations (Scopus)

Résumé

Generalized valence-bond calculations suggest that atomic oxygen chemisorbed on Ni(100) leads to two distinct low-lying states: (1) the radical state with Râ=0.88 Ã and ωâ =55 meV and (2) the surface oxide state with Râ=0.26 Ã and ωâ=38 meV. We suggest that the rdadica lstate dominates for p(2×2) and that the oxide state dominates for c(2×2). We find that atomic H, Cl, and S lead to only one low-lying state.

langue originale	Anglais
Pages (de - à)	1635-1639
Nombre de pages	5
journal	Physical Review Letters
Volume	46
Numéro de publication	25
Les DOIs	https://doi.org/10.1103/PhysRevLett.46.1635
état	Publié - 1 janv. 1981
Modification externe	Oui

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10.1103/PhysRevLett.46.1635

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title = "Evidence for two states of chemisorbed oxygen on Ni(100)",

abstract = "Generalized valence-bond calculations suggest that atomic oxygen chemisorbed on Ni(100) leads to two distinct low-lying states: (1) the radical state with R{\^a}=0.88 {\~A} and ω{\^a} =55 meV and (2) the surface oxide state with R{\^a}=0.26 {\~A} and ω{\^a}=38 meV. We suggest that the rdadica lstate dominates for p(2{\texttimes}2) and that the oxide state dominates for c(2{\texttimes}2). We find that atomic H, Cl, and S lead to only one low-lying state.",

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N2 - Generalized valence-bond calculations suggest that atomic oxygen chemisorbed on Ni(100) leads to two distinct low-lying states: (1) the radical state with Râ=0.88 Ã and ωâ =55 meV and (2) the surface oxide state with Râ=0.26 Ã and ωâ=38 meV. We suggest that the rdadica lstate dominates for p(2×2) and that the oxide state dominates for c(2×2). We find that atomic H, Cl, and S lead to only one low-lying state.

AB - Generalized valence-bond calculations suggest that atomic oxygen chemisorbed on Ni(100) leads to two distinct low-lying states: (1) the radical state with Râ=0.88 Ã and ωâ =55 meV and (2) the surface oxide state with Râ=0.26 Ã and ωâ=38 meV. We suggest that the rdadica lstate dominates for p(2×2) and that the oxide state dominates for c(2×2). We find that atomic H, Cl, and S lead to only one low-lying state.

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DO - 10.1103/PhysRevLett.46.1635

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Evidence for two states of chemisorbed oxygen on Ni(100)

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