Publications of the Heterogeneous Catalysis Group, 2007

S. Vajda, G. Wiederrecht, A. Bouhelier, B. Lee, S. Seifert, G.Y. Tikhonov, N. Tomczyk, and R.E. Winans, “Optical Properties of Au Nanoparticles Produced by the Assembly of Size-Selected Cluster Deposition: Covering the full Visible Wavelength Range in the Smallest Particle Size Regime,” Collection of Czechoslovak Chemical Communications 72, 121 (2007)

J. Hagen, L. D. Socaciu-Siebert, J. Le Roux, D. Popolan, S. Vajda, T. M. Bernhardt, and L. Wöste, “Charge Transfer Initiated Nitroxyl Chemistry on Free Silver Clusters Ag2-5-: Size Effects and Magic Complexes,” International Journal of Mass Spectrometry 261, Chava Lifshitz Memorial Issue, 152 (2007)

E. N. Coker, W. A. Steen, J. T. Miller, A. J. Kropf, and J. E. Miller, "The Preparation and Characterization of Novel Pt/C Electrocatalysts with Controlled Porosity and Cluster Size," Journal of Materials Chemistry 17(31), 3330-3340 (2007)

J. A. van Bokhoven and J. T. Miller, "d-Electron Density and Reactivity of the d Band as a Function of Particle Size in Supported Gold," Journal of Physical Chemistry C, 111(26), 9245-9249 (2007)

S. Guerrero, J. T. Miller, and E. E. Wolf, "Activity and Selectivity Control of Pt by Niobium for the Preferential Oxidation (PROX) of Carbon Monoxide in Supported Catalysts," Applied Catalysis A: Gen., 328, 27-34 (2007)

L. D. D'Souza, L. Jiao, A. J. Kropf, J. R. Regalbuto, and J. T. Miller "Preparation of Silica and Carbon Supported Cobalt by Electrostatic Adsorption of Co(III) Hexammines," Journal of Catalysis 248, 165 (2007)

E. N. Coker, W. A. Steen, J. T. Miller, A. J. Kropf, and J. E. Miller, "Nano-structured Pt/C Electro-catalysts with High Dispersions Through Zeolite Templating," Microporous and Mesoporous Matererials 101, 440-444 (2007)

J. Rodgers, J. Rathke, R. Klingler, and C. Marshall, “Hydrolysis of Silicon–Hydride Bonds Catalyzed by Ferromagnetic Cobalt Nanoparticles,” Catalysis Letters 114 (3), 145-150 (2007)

Puskas, T. H. Fleisch, J. A. Kaduk, C. L. Marshall, B. L. Meyers, M. J. Castagnola, and J. E. Indacochea, “Novel Aspects of the Physical Chemistry of Co/SiO₂ Fischer–Tropsch Catalyst Preparations:  Cobalt Oxide-Induced Silica Migration during Calcination of Cobalt Nitrate-Impregnated High Surface Area Silica,” Applied Catalysis A: General 316, 197-206 (2007)

V. G. Komvokis, E. F. Iliopoulou, I. A. Vasalos, K. S. Triantafyllidis, and C. L. Marshall, “Development of Optimized Cu-ZSM-5 deNOx Catalytic Materials both for HC-SCR Applications and as FCC Catalytic Additives,” Applied Catalysis A: General 325 (2), 345-352 (2007)

G. Jacobs, Y. Ji, B. H. Davis, D. Cronauer, A. J. Kropf, and C. L. Marshall, “Fischer–Tropsch Synthesis:  Temperature Programmed EXAFS/XANES Investigation of the Influence of Support Type, Cobalt Loading, and Noble Metal Promoter Addition to the Reduction Behavior of Cobalt Oxide Particles,” Applied Catalysis A: General 333 177–191 (2007)

N. M. Dimitrijevic, Z. V. Saponjic, B. M. Rabatic, O. G. Poluektov, and T. Rajh, “Effect of Size and Shape of Nanocrystalline TiO₂ on Photogenerated Charges. An EPR Study,” Journal of Physical Chemistry C 111, 14597-14601 (2007)

J. Liu, L. de la Garza, L. Zhang, N. M. Dimitrijevic, X. Zuo, C. M. Tiede, and T. Rajh, “Photocatalytic Probing of DNA Sequence by using TiO₂/Dopamine-DNA Triads,” Chemical Physics 339, 154-163 (2007)

K. A. Jackson, M. Yang, and J. Jellinek, “Site-Specific Analysis of Dielectric Properties of Finite Systems,” Journal of Physical Chemistry C 111, 17952-17960 (2007) (R. E. Smalley Memorial Issue)

J. C. Idrobo, W. Walkosz, S. F. Yip, S. Ogut, J. Wang, and J. Jellinek, “Static Polarizabilities and Optical Absorption Spectra of Gold Clusters (Au_n, n=2-14 and 20) from First Principles,” Physical Review B 76, 205422(1-12) (2007)

P. Villarreal , M. P. de Lara-Castells, R. Prosmiti, G. Delgado-Barrio, D. Lopez-Duran, F. Gianturco, and J. Jellinek, “Spectral Simulations of Polar Diatomic Molecules Immersed in He Clusters:  Application to the IC1(X) Molecule,” Physica Scripta 76, C96-C103 (2007)

J. Jellinek and P. H. Acioli, “Computational Electron Spectroscopy of Gas Phase Metal Clusters,” in The Chemical Physics of Solid Surfaces, Vol. 12, Atomic Clusters: From Gas Phase to Deposited, D. P. Woodruff, Ed., Elsevier, Amsterdam, 2007, pp. 299-326

M. P. de Lara-Castells, R. Prosmiti, D. Lopez-Duran, G. Delgado-Barrio, P. Villarreal, F. A. Gianturco, and J. Jellinek, “Doped Helium Clusters Analyzed through Quantum Chemistry Methods,” International Journal of Quantum Chemistry, 107, 2902-2921 (2007)

J. C. Idrobo, S. Ogut, K. Nemeth, J. Jellinek, and R. Ferrando, “First-Principles Isomer-Specific Absorption Spectra of Ag₁₁,” Physical Review B 75, 233411(1-4) (2007)

J. Wang, J. Bai, J. Jellinek, and X. C. Zeng, “Gold Coated Metal Anion [Mn₁₃@Au₂₀]^- with Very High Magnetic Moment,” Journal of the American Chemical Society 129, 4110-4111 (2007) (Communication)

D. A. Horner, P. C. Redfern, M. Sternberg, P. Zapol, and L. A. Curtiss, “Increased Reactivity of Single Wall Carbon Nanotubes at Carbon Ad-Dimer Defect Sites,” Chemical Physics Letters 450 71 (2007)

L. Curtiss, P. Redfern, and T. Kupka, “Quantum Chemical Studies of Li Ion Hopping Mechanism in Polymer Electrolytes,” ECS Transactions 3 (35) 163-167 (2007)

L. A. Curtiss, P. C. Redfern, and K. Raghavachari, “Gaussian-4 Theory Using Reduced Order Perturbation Theory,” Journal of Chemical Physics 127 124105 (2007)

L. A. Curtiss, P. C. Redfern, and K. Raghavachari, “Gaussian-4 Theory,” Journal of Chemical Physics 126 084108 (2007)

S. Erdin, Y. Lin, J. W. Halley, P. Zapol, P. Redfern, and L. Curtiss, “Self-Consistent Tight Binding Molecular Dynamics Study of TiO₂ Nanoclusters in Water,” Journal of Electroanalytical Chemistry 607 (1), 147 (2007)