Author
J. K. Cashion
Bio: J. K. Cashion is an academic researcher. The author has contributed to research in topics: Angle-resolved photoemission spectroscopy & Inverse photoemission spectroscopy. The author has an hindex of 1, co-authored 1 publications receiving 278 citations.
Papers
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280 citations
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TL;DR: In this paper, the surface chemistry of the nickel-oxygen system using both temperature changes and ion bombardment as techniques for elucidating the surface structure was studied using both X-ray photoelectron lines and the Auger transitions.
737 citations
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.
634 citations
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.
Abstract: Publisher Summary Catalytic oxidation of carbon monoxide over catalysts from the platinum group metals has been investigated. Apart from its enormous practical importance, this reaction is considered to proceed through a relatively simple mechanism because only diatomic molecules are involved and product formation occurs presumably only over a very few steps. This chapter discusses the adsorptive properties of the reactants, their mutual interaction, and the mechanism and kinetics of product formation as well as the investigations with well defined single-crystal surfaces. The activity of a catalyst for a particular reaction is strongly dependent on the surface structure. Directive investigation of the influence of the surface structure on the catalytic activity was performed by using a platinum 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.
493 citations
TL;DR: A comprehensive review about the versatility of photoelectron spectroscopy to study the especially complex interaction of oxygen with metal surfaces and the nature of the reaction products can be found in this paper.
473 citations
TL;DR: In this paper, a numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented, where wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atom-like problems.
Abstract: A numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented Molecular wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atomlike problems Binding energies and wavefunctions for the molecules are generated using a discrete variational method for a given molecular potential In the self-consistent-charge (SCC) approximation to the complete self-consistent-field (SCF) method, results of a Mulliken population analysis of the molecular eigenfunctions are used in each iteration to produce 'atomic' occupation numbers The simplest SCC potential is then obtained from overlapping spherical atomlike charge distributions Molecular ionization energies are calculated using the transition-state procedure; results are given for CO, H2O, H2S, AlCl, InCl, and the Ni5O surface complex Agreement between experimental and theoretical ionization energies for the free-molecule valence levels is generally within 1 eV The simple SCC procedure gives a reasonably good approximation to the molecular potential, as shown by comparison with experiment, and with complete SCF calculations for CO, H2O, and H2S
420 citations