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The nature of chemisorbed oxygen on Ni(100) and Cu(100)Model calculations indicate two low-lying states for the interaction of O with Ni and Cu(100). The oxide state is approximately 1 eV more stable and its R(perpendicular) for Ni(100) is consistent with the experimental value for Ni(100), indicating only one type of stable chemisorption bond. This agrees with XPS (X-ray photoemission spectroscopy) and EXAFS (extended X-ray absorption fine structure) data for the observed LEED (low energy electron diffraction) structures. Interpretations of EELS (electron energy loss spectroscopy) data in terms of a radical state forthe p(2x2) and the oxide state for the c(2x2) structure must be seriously questioned.
Document ID
19860020453
Acquisition Source
Legacy CDMS
Document Type
Conference Paper
Authors
Bauschlicher, C. W., Jr.
(Polyatomics Research, Inc. Mountain View, CA, United States)
Walch, S. P.
(Polyatomics Research, Inc. Mountain View, CA, United States)
Bagus, P. S.
(IBM Research Lab. San Jose, Calif., United States)
Brundle, C. R.
(Polyatomics Research, Inc. Mountain View, CA, United States)
Date Acquired
August 12, 2013
Publication Date
August 31, 1984
Publication Information
Publication: On the Extension of the MCSCF(CI Method
Subject Category
Inorganic And Physical Chemistry
Accession Number
86N29925
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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