II. Structure of Perovskites 1982 A. Crystal Structure 1982 B. Nonstoichiometry in Perovskites 1983 1. Oxygen Nonstoichiometry 1983 2. Cation Nonstoichiometry 1984 C. Physical Properties 1985 D. Adsorption Properties 1986 1. CO and NO Adsorption 1986 2. Oxygen Adsorption 1987 E. Specific Surface and Porosity 1987 F. Thermal Stability in a Reducing Atmosphere 1989 III. Acid−Base and Redox Properties 1990 A. Acidity and Basicity 1990 B. Redox Processes 1991 1. Kinetics and Mechanisms 1992 2. Reduction−Oxidation Cycles 1993 C. Ion Mobility 1993 1. Oxygen Transport 1993 2. Cation Transport 1994 IV. Heterogeneous Catalysis 1995 A. Oxidation Reactions 1995 1. CO Oxidation 1995 2. Oxidation of Hydrocarbons 1996 B. Pollution Abatement 2001 1. NOx Decomposition 2001 2. Exhaust Treatment 2002 3. Stability 2004 C. Hydrogenation and Hydrogenolysis Reactions 2004 1. Hydrogenation of Carbon Oxides 2004 2. Hydrogenation and Hydrogenolysis Reactions 2006

Chemical structures and performance of perovskite oxides.

The application of density functional theory to calculate adsorption properties, reaction pathways, and activation energies for surface chemical reactions is reviewed. Particular emphasis is placed on developing concepts that can be used to understand and predict variations in reactivity from one transition metal to the next or the effects of alloying, surface structure, and adsorbate-adsorbate interactions on the reactivity. Most examples discussed are concerned with the catalytic properties of transition metal surfaces, but it is shown that the calculational approach and the concepts developed to understand trends in reactivity for metals can also be used for sulfide and oxide catalysts.

Theoretical surface science and catalysis—calculations and concepts

Catalytic removal of NO

Steam Reforming and Graphite Formation on Ni Catalysts

Carbide and Nitride Overlayers on Early Transition Metal Surfaces: Preparation, Characterization, and Reactivities.

Synchrotron radiation study of chemisorptive bonding of CO on transition metals — Polarization effect on Ir(100)☆

Photoelectron spectroscopy with synchrotron radiation has been used to examine the electronic energy bands of Sc${\mathrm{H}}_{1.85}$, Y${\mathrm{H}}_{1.73}$, and Lu${\mathrm{H}}_{1.77}$ for $15\ensuremath{\le}h\ensuremath{\nu}\ensuremath{\le}100$ eV. The $h\ensuremath{\nu}$-dependent features in the bonding band are discussed in terms of initial-state densities of state and variations in the partial photoionization cross sections. The photoelectron spectroscopy results are combined with those of our earlier optical studies and are used to assess quantitatively the validity of the one-electron band model for $d$-band metal dihydrides. Good overall agreement is found when compared to the results of recent calculations, notably those of Peterman et al., based on the model proposed by Switendick. Band-structure effects are discussed in detail. Emission from the shallow $3p$, $4p$, and $5p$ core levels are revealed through high-photon-energy spectra. Additional features arising from plasmon losses and Auger emission are shown to be important. For Lu${\mathrm{H}}_{2}$, the $4f$ photoionization cross section is determined, and the probability of bulk-plasmon excitations is shown normalized to the $4f$ cross section.

Electronic structure of metal hydrides. III. Photoelectron spectroscopy studies of Sc H 2 , Y H 2 , and Lu H 2

Parallel measurements have been made on photon-stimulated and electron-stimulated desorption of ${\mathrm{F}}^{+}$, ${\mathrm{Cl}}^{+}$, and ${\mathrm{O}}^{+}$ ions from W(100). Ion energy distributions, angular distributions, and threshold yield behavior all indicate that the mechanisms for desorption by photons and electrons are essentially identical. The extent to which the results are consistent with the core-level Auger model of Knotek and Feibelman is discussed.

Photon- and electron-stimulated desorption from a metal surface

Angle-resolved polarization-dependent photoemission studies of carbon monoxide on iridium surfaces∗

Complete tables of optical dipole selection rules for Bloch states in the hexagonal-close-packed lattice are given for symmetry lines and symmetry points in the Brillouin zone. Included are both single and double group representations.

R. L. Benbow

Papers

Synchrotron radiation study of chemisorptive bonding of CO on transition metals — Polarization effect on Ir(100)☆

Electronic structure of metal hydrides. III. Photoelectron spectroscopy studies of Sc H 2 , Y H 2 , and Lu H 2

Photon- and electron-stimulated desorption from a metal surface

Angle-resolved polarization-dependent photoemission studies of carbon monoxide on iridium surfaces∗

Dipole selection rules for the hexagonal-close-packed lattice