Journal ArticleDOI
On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni
TLDR
In this paper, a LCAO-SCF calculation on the NiCO molecule is reported, in addition to the ionization potentials the vibrational structure due to ionization is calculated, and compared with those of recent semiempirical calculations on the CO-Ni system and with the photoelectron spectra of CO chemisorbed on nickel surfaces.Abstract:
A LCAO-SCF calculation on the NiCO molecule is reported. In addition to the ionization potentials the vibrational structure due to ionization is calculated. The computed ionization potentials are compared with those of recent semiempirical calculations on the CO — Ni system and with the photoelectron spectra of CO chemisorbed on nickel surfaces. We produce further evidence that the first peak in the photoelectron spectrum relates to the 5σ and 1π orbitals of CO and that the peak at higher ionization energy represents the 4σ orbital.read more
Citations
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Journal ArticleDOI
The chemisorption of carbon monoxide on palladium single crystal surfaces: IR spectroscopic evidence for localised site adsorption
TL;DR: In this article, combined IR reflection-absorption and LEED studies of the room temperature adsorption of carbon monoxide on the (100), (111) and (210) surfaces of palladium are reported.
Book ChapterDOI
Elementary Steps in the Catalytic Oxidation of Carbon Monoxide on Platinum Metals
T. Engel,Gerhard Ertl +1 more
TL;DR: In this article, the authors investigated the influence of surface structure on the catalytic activity of a single crystal whose surface was curved in such a way that not only the plane but also vicinals with varying step density of two different crystallographic directions were present.
Journal ArticleDOI
Synchrotron radiation study of chemisorptive bonding of CO on transition metals — Polarization effect on Ir(100)☆
TL;DR: In this paper, it was shown that the separation in energy between the 4σ and 1π peaks of chemisorbed CO varies systematically with the position of the adsorbent in the Periodic Table.
Journal ArticleDOI
Catalytic Synthesis of Hydrocarbons over Group VIII Metals. A Discussion of the Reaction Mechanism
TL;DR: In the intervening 54 years, many efforts have been made to identify the mechanism by which reactants are converted to products, motivated in large measure by the desire to understand how catalyst composition and reaction conditions govern the distribution of products formed as discussed by the authors.
Journal ArticleDOI
Photoelectron spectroscopic studies of adsorption of CO and oxygen on Ru(001)
TL;DR: In this paper, the angular dependence of adsorbate and substrate peak intensity ratios was studied. But the results were not correlated with the results of earlier measurements with other methods, and the data were correlated only with the O 1s XPS peak intensity.
References
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Journal ArticleDOI
Molecular Photoelectron Spectroscopy
Journal ArticleDOI
``Multiple-Scattering'' Model for Polyatomic Molecules
TL;DR: In this paper, the Hartree-Fock Hamiltonian was used to calculate the bound one-electron eigenstate of polyatomic molecules in a multiscale setting, where the composite wavefunctions are expanded in rapidly convergent partial wave series around each atomic site.
Journal ArticleDOI
D. W. Turner: Molecular Photoelectron Spectroscopy. Unter Mitarbeit von C. Baker, A. D. Becker und C. R. Brundle, Wiley-Interscience, John Wiley & Sons Ltd., London, New York, Sydney, Toronto 1970. 386 Seiten. Preis: 140 sh.
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Photoemission Energy-Level Measurements of Chemisorbed CO and O on Ni
D. E. Eastman,J. K. Cashion +1 more