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Pt photoemission data via relativistic cluster calculations
A189 Anna VIZI and L~iszl6 MARKO Department of Organic Chemistry, Veszpr~m University, Veszpr~m,Hungary Received 8 September 1980 Temperature programmed decomposition of H2FeRu3(CO)12 and Fe2Ru(COh2 supported on Cab-O-Sil HS-5 reveals differences in the interaction between the complex and the support. Both in He and in H2 flow CO evolves in several steps and hydrocarbons are formed at higher temperatures. In He flow the amount of hydrocarbons is low. about 20--40% of the carbon remains in the catalyst and stabilizes its dispersion. M6ssbauer spectra show that iron is oxidized to Fe2+ and Fe3. and simultaneously H2 is formed. The final catalyst develops only during the initial hours in the CO + H2 reaction itself. This process results in a drop in the catalytic activity. Catalysts decomposed in He are more active than those decomposed in H2.
Surface Science 106 (1981) 523-528 North-Holland Publishing Company
INTERPRETATION OF CO/Pt PHOTOEMISSION DATA VIA RELATIVISTIC CLUSTER CALCULATIONS Cary Y. YANG Surface Analytic Research, Inc., 465A FairchildDrive, Suite 128, Mountain View, California 94043, USA
and David A. CASE Department o/Chemistry, University of California, Davis, Cali[ornia 95616, USA Received 8 September 1980
Small clusters modeling various surfaces of platinum are employed in relativistic molecular orbital calculations. The results are correlated with existing ultraviolet (UPS) and X-ray (XPS) photoelectron spectra. The Pt valence band consists of two complexes, ds/2 and d3/2, separated by spin-orbit splitting. The UPS result for clean Pt(lll) conforms to a schematic description of the Pt d-band. The calculated ionization energies for the adsorbed CO compare well with UPS and XPS data.
Surface Science 106 (1981) 529--537 North-Holland Publishing Company
SIZE EFFECTS IN AEROSOL PARTICLE INTERACTIONS: THE VAN DER WAALS POTENTIAL AND COLLISION RATES* William H. MARLOW Brookhaven National Laboratory, Environmental ChemistryDivision, Upton, New York 11973, USA Received 8 September 1980; accepted for publication 15 October 1980
Three effects which are explicitly dependent on aerosol particle size are identified and discussed. They are focussed about the particle collision rate and how it relates to the properties of the gas, the particle, and the particle's interaction potential energy which play roles in particle-particle collision rates. By incorporating the conduction electronic free path effect for conductors into the frequency-dependent dielectric constants of silver and graphite, particle size effects in the Lifshitz-Van der Waals potentials for identical pairs of 1 nm and f00 nm particles are
Surface Science 106 (1981) 523-528 North-Holland Publishing Company
INTERPRETATION OF CO/Pt PHOTOEMISSION DATA VIA RELATIVISTIC CLUSTER CALCULATIONS Cary Y. YANG Surface Analytic Research, Inc., 465A FairchildDrive, Suite 128, Mountain View, California 94043, USA
and David A. CASE Department o/Chemistry, University of California, Davis, Cali[ornia 95616, USA Received 8 September 1980
Small clusters modeling various surfaces of platinum are employed in relativistic molecular orbital calculations. The results are correlated with existing ultraviolet (UPS) and X-ray (XPS) photoelectron spectra. The Pt valence band consists of two complexes, ds/2 and d3/2, separated by spin-orbit splitting. The UPS result for clean Pt(lll) conforms to a schematic description of the Pt d-band. The calculated ionization energies for the adsorbed CO compare well with UPS and XPS data.
Surface Science 106 (1981) 529--537 North-Holland Publishing Company
SIZE EFFECTS IN AEROSOL PARTICLE INTERACTIONS: THE VAN DER WAALS POTENTIAL AND COLLISION RATES* William H. MARLOW Brookhaven National Laboratory, Environmental ChemistryDivision, Upton, New York 11973, USA Received 8 September 1980; accepted for publication 15 October 1980
Three effects which are explicitly dependent on aerosol particle size are identified and discussed. They are focussed about the particle collision rate and how it relates to the properties of the gas, the particle, and the particle's interaction potential energy which play roles in particle-particle collision rates. By incorporating the conduction electronic free path effect for conductors into the frequency-dependent dielectric constants of silver and graphite, particle size effects in the Lifshitz-Van der Waals potentials for identical pairs of 1 nm and f00 nm particles are