Publications of the Heterogeneous Catalysis Group, 2006

E. Bus, J. T. Miller, A. J. Kropf, R Prins, and J. A. van Bokhoven, "Analysis of In-situ EXAFS Data of Supported Metal Catalysts Using the Third and Fourth Cumulants," Physical Chemistry Chemical Physics 8(27), 3248-3258 (2006)

J. R. Regalbuto, J. T. Miller, and A. J. Kropf, "An Evaluation of Pt Sulfite Acid (PSA) as a Precursor for Supported Pt Catalysts," Topics in Catalysis 39, 237 (2006)

J. A. van Bokhoven, C. Louis, J. T. Miller, M. Tromp, O. V. Safonova, and P. Glatzel, "Activtation of Oxygen on Gold-Alumina Catalysts: In-Situ High Energy-Resolution and Time-Resolved X-ray Spectroscopy," Angewandte Chemie International Edition 45, 4651-4654 (2006)

J. T. Miller, A. J. Kropf, Y. Zha, J. R. Regalbuto, L. Delannoy, L. Louis, E. Bus, and J. A. van Bokhoven, "The Effect of Gold Particle Size on the Au-Au Bond Distance and Reactivity Toward Oxygen in Supported Catalysts," Journal of Catalysis 240 222-234 (2006)

N. Weiher, E. Bus, R. Prins, L. Delannoy, C. Louis, D. E. Ramaker, J. T. Miller, and J. A. van Bokhoven, "Structure and Oxidation State of Gold on Different Supports Under Various CO Oxidation Conditions," Journal of Catalysis 240, 100-107 (2006)

P. C. Stair, C. Marshall, G. Xiong, H. Feng, M. J. Pellin, J. E. Elam, L. Curtiss, L. Iton, H. Kung, M. Kung, and H.-H. Wang, “Novel, Uniform Nanostructured Catalytic Membranes,” Topics in Catalysis 39 (3–4), 181-186 (2006)

I. Puskas, T. H. Fleisch, P. R. Full, J. A. Kaduk, C. L. Marshall, and B. L. Meyers, “Novel Aspects of the Physical Chemistry of Co/SiO₂ Fischer-Tropsch Catalyst Preparations:  The Chemistry of Cobalt Silicate Formation during Catalyst Preparation or Hydrogenation,” Applied Catalysis A: General 311 146-154 (2006)

V. G. Komvokis, E. F. Iliopoulou, I. A. Vasalos, K. S. Triantafyllidis, and C. L. Marshall, “Novel Metal-Modified ZSM-5 Formulations as Catalysts for the Simultaneous Reduction of NO and CO Emissions from the Regenerator of an FCC Unit,” Preprints of Symposia - American Chemical Society, Division of Fuel Chemistry  51 (1), 256-257 (2006)

M. I. Khan, S. Tabussum, C. L. Marshall, and M. K. Neylon, “Catalytic deNOx Properties of Novel Vanadium Oxide Based Open-Framework Materials,” Catalysis Letters 112 (1-2), 1-12 (2006)

K. A. Carrado, J. H. Kim, C. S. Song, N. Castagnola, C. L. Marshall, and M. M. Schwartz, “HDS and Deep HDS Activity of CoMoS-Mesostructured Clay Catalysts,” Catalysis Today 116, 478-484 (2006)

Z. V. Saponjic, N. M. Dimitrijevic, O. G. Poluektov, L. X. Chen, E. Wasinger, U. Welp, D. M. Tiede, X. Zuo, and T. Rajh, “Charge Separation and Surface Reconstruction: A Mn²⁺ Doping Study,” Journal of Physical Chemistry B 110, 25441-25450 (2006)

N. M. Dimitrijevic, O. G. Poluektov, Z. V. Saponjic, and T. Rajh, “Complex and Charge Transfer between TiO₂ and Pyrroloquinoline Quinone,” Journal of Physical Chemistry B 110, 25392-25398 (2006)

L. De la Garza, Z. V. Saponjic, T. Rajh, and N. M. Dimitrijevic, “Photoelectroactivity of a Hybrid System Constructed by Immobilization of Avidin onto Biotinylated TiO₂ Electrodes,” Chemistry of Materials 18, 2682-2688 (2006)

S. J. Clarke, C. A. Hollmann, Z. Zhang, D. Suffern, S. E. Bradforth, N. M. Dimitrijevic, W. G. Minarik, and J. L. Nadeau, “Photophysics of Dopamine-Modified Quantum Dots and Effects on Biological Systems,” Nature of Materials 5, 409-417 (2006)

B. M. Rabatic, N. M. Dimitrijevic, R. E. Cook, Z. V. Saponjic, and T. Rajh, “Spatially Confined Corner Defects Induce Chemical Functionality of TiO₂ Nanorods,” Advanced Materials 18, 1033-1037 (2006)

J. Liu, Z. Saponjic, N. M. Dimitrijevic, S. Luo, D. Preuss, and T. Rajh, “Hybrid TiO₂ Nanoparticles: An Approach for Developing Site Specific DNA Cleavage,” Proceedings of SPIE 6096, 48-57, Colloidal Quantum Dots for Biomedical Applications (SPIE, San Jose), M. Osinski, K. Yamamoto, and T. M. Jovinm, eds.(2006)

L. de la Garza, Z. V. Saponjic, N. M. Dimitrijevic, M. C. Thurnauer, and T. Rajh, “Surface States of Titanium Dioxide Nanoparticles Modified with Enediol Ligands,” Journal of Physical Chemistry B 110, 680-686 (2006)

M. P. de Lara-Castells, R. Prosmiti, G. Delgado-Barrio, D. Lopez-Duran, P. Villarreal, F. Gianturco, and J. Jellinek, “Polar Di-Halogen Molecules Solvated in Bosonic Helium Clusters:  The Paradigm of IC1(X), “ Physical Review A 74, 053201(1-11) (2006)

K. Jackson, M. Yang, and J. Jellinek, “Site-Specific Polarizabilities:  Probing the Atomic Response of Silicon Clusters to an External Field,” Lecture Series in Computer and Computational Sciences, Vol. 6, G. Maroulis and T. Simos, Eds., Brill, Leiden, 2006, pp. 165-176

S. Ogut, J. C. Idrobo, J. Jellinek, and J. Wang, “Structural, Electronic, and Optical Properties of Noble Metal Clusters from First Principles,” Journal of Cluster Science 17, 609-626 (2006)

M. Yang, K. A. Jackson, and J. Jellinek, “First-Principles Study of Intermediate Size Silver Clusters:  Shape Evolution and Its Impact on Cluster Properties,” Journal of Chemical Physics 125, 144308(1-8) (2006)

J. Wang, M. Yang, J. Jellinek, and G. Wang, “Dipole Polarizabilities of Medium-Size Au_N, N=32, 38, 44, 50, 56, Clusters,” Physical Review A 74, 023202(1-5) (2006)

J. Jellinek, P. H. Acioli, J. Garcia-Rodeja, W. Zheng, O. C. Thomas, and K. H. Bowen, “Mn_n-Clusters:  Size-Induced Transition to Half-metallicity,” Physical Review B 74, 153401(1-4) (2006) Reprinting in the Virtual Journal of Nanoscale Science & Technology, 14, Issue 16 (2006) 

J. Zhao, X. Zhou, X. Chen, J. Wang, and J. Jellinek, “Density-Functional Study of Small and Medium-Sized As_n Clusters up to n-=28,” Physical Review B 73, 115418((1-10) (2006)

J. Bai, L.-F. Cui, J. Wang, S. Yoo, X. Li, J. Jellinek, C. Koehler, T. Frauenheim, L.-S. Wang, and X. C. Zeng, “Structural Evolution of Anionic Silicon Clusters Si_N (20<N<45),” Journal of Physical Chemistry A 110, 908-912 (2006)

M. Yang, K. A. Jackson, C. Koehler, T. Frauenheim, and J. Jellinek, “Structure and Shape Variations in Intermediate Size Copper Clusters,” Journal of Chemical Physics 124, 024308(1-6) (2006)

E. Bus, J. T. Miller, A. J. Kropf, R. Prins, and J. A. van Bokhoven, "Analysis of in-situ EXAFS Data of Supported Metal Catalysts Using the Third and Fourth Cumulant," Physical Chemistry Chemical Physics 8(27), 3248-3258 (2006). 

S. D. Kelly, E. T. Rasbury, S. Chattopadhyay, A. J. Kropf, and K. M. Kemner, "Evidence of a Stable Uranyl Site in Ancient Organic Rich Calcite,"  Environmental Science and Technology 40, 2262-2268 (2006) 

M. Sternberg, L. A. Curtiss, D. M. Gruen, G. Kedziora, D. A. Horner, P. C. Redfern, and P. Zapol, “Carbon Ad-Dimer Defects in Carbon Nanotubes,” Physical Review Letters 96 075506 (2006)

P. C. Redfern, P. Zapol, M. Sternberg, S. P. Adiga, S. A. Zygmunt, and L. A. Curtiss, “Quantum Chemical Study of Mechanisms for Oxidative Dehydrogenation of Propane on Vanadium Oxide,” Journal of Physical Chemistry B 110, 8363 (2006)

S. Vajda, R.E. Winans, J.W. Elam, B. Lee, M.J. Pellin, S. Seifert, G.Y. Tikhonov and N. A. Tomczyk, “Supported Gold Clusters and Cluster-Based Nanomaterials: Characterization, Stability and Growth Studies by In Situ GISAXS under Vacuum Conditions and in the Presence of Hydrogen,” Topical Catalysis, Special Issue, "Nanotechnology in Catalysis," 39, 161 (2006)