RECENT PUBLICATIONS

  1. Artioli, G., et al., In Situ Dehydration of Yugawaralite. Am. Mineralogist, 2001. 86: p. 185-192.
     
  2. Beuhler, R.J., et al., Study of the Partial Oxidation of Methanol to Formaldehyde on a Polycrystalline Ag Foil. J. Phys. Chem. B, 2001. 105: p. 5950-5956.
     
  3. Christensen, A.N., et al., Study of Formation of Cobalt and Zinc Phosphates in Solvothermal Synthesis Using Piperazine and 2-Methylpiperazine as Templating Molecules. Structure Investigations of [C4H8N2H4][(Co0.44(1) Zn0.56(1))2- (PO4)(H1.5PO4)2] and of [C5H2H14][(Co0.25(3) Zn0.75(3) (HOP4)2]. J. Chem. Soc., Dalton Trans., 2001: p. 1611-1615.
     
  4.  Chupas, P.J., et al., In-Situ X-ray Diffraction and Solid State NMR Study of the Fluorination of g-Al2O3 with HCF2Cl. J. Am. Chem. Soc., 2001. 123: p. 1694-1702.
     
  5. Ciraolo, M.F., et al., An In-situ X-Ray Powder Diffraction Study pf the Adsorption of Hydrofluorocarbons in Zeolites. J. Phys. Chem. B, 2001. 105: p. 2604-2611.
     
  6. Ciraolo, M.F., J.C. Hanson, and C.P. Grey, Solid-State Rubidium Exchange of Zeolite NH4Y. Micro. Meso. Mater., 2001. 49: p. 111-124.
     
  7. Ciraolo, M.F., et al., Combined X-ray and Neutron Powder Refinement and NMR Study of Hydrochlorofluorocarbon HCFC-124a (CF2HCF2Cl) Binding on NaX. J. Phys. Chem. B, 2001. 105: p. 12330-12337.
     
  8. Dvorak, J., T. Jirsak, and J. Rodriguez, Fundamental Studies of Desulfurization Processes: Reaction of Methanethiol on ZnO and Cs/ZnO. Surf. Sci., 2001. 479: p. 155-168.
     
  9. Hillhouse, H.W., et al., The Interpretation of X-ray Diffraction Data for the Determination of Channel Orientation in Mesoporous Films. Microporous Mesoporous Mater., 2001. 44-45: p. 639-643.
     
  10. Hrbek, J. and R.Q. Hwang, Interaction of Adsorbates on Strained Metallic Layers. Current Opinion in Solid States & Materials Science, 2001. 5: p. 67-73.
     
  11. Hrbek, J., et al., High Resolution Photoemission Studies of Sulfur Interaction with Model Catalytic Surfaces. J. Electron Spectr. Rel. Phen., 2001. 119: p. 201-206.
     
  12. Hrbek, J., et al., Sulfur Adsorption and Reaction with a TiO2(110) Surface: O´S Exchange and Sulfide Formation. Collect. Czech. Chem. Commun., 2001. 66: p. 1149-1163.
     
  13. Landry, C.C., et al., Phase Transformation in Mesostructured Silica/Surfactant Composites. Mechanisms for Change and Applications to Materials Synthesis. Chem. Mater., 2001. 13: p. 1600-1608.
     
  14. Lee, Y., et al., New Insight into Cation Relocations within the Pores of Zeolite Rho: In Situ Synchrotron X-Ray and Neutron Powder Diffraction Studies of Pb- and Cd-Exchanged Rho. J. Phys. Chem. B, 2001. 105: p. 7188-7199.
     
  15. Liu, G., et al., Electronic and Chemical Properties Ce0.8Zr0.2O2(111) Surfaces: Photoemission, XANES, Density Functional, and NO2 Adsorption Studies. J. Phys. Chem. B, 2001. 105: p. 7762-7770.
     
  16. Liu, H., et al., Kinetics and Mechanism of the b- to a-CuA1C14 Phase Transition: A Time-Resolved 63Cu MAS NMR and Powder X-ray Diffraction Study. J. Am. Chem. Soc., 2001. 123: p. 7564-7573.
     
  17. Rodriguez, J.A., et al., Chemistry of SO2 and NO2 on ZnO(0001)-Zn and ZnO Powders: Changes in Reactivity with Surface Structure and Composition. J. Molec. Catal. A: Chemical, 2001. 167: p. 47-57.
     
  18. Rodriguez, J.A., et al., Studies on the Behavior of Mixed-Metal Oxides: Adsorption of CO and NO on MgO(100), NixMg1-xO(100) and CrxMg1-x(100). J. Chem. Phys., 2001. 114: p. 4186-4195.
     
  19. Rodriguez, J.A., et al., Interaction of Sulfur with TiO2(110): Photoemission and Density-Functional Studies. Chem. Phys. Lett., 2001. 336: p. 377-384.
     
  20. Rodriguez, J.A., et al., Coadsorption of Sodium and SO2 on MgO(100): Alkali Promoted S-O Bond Cleavage. Surf. Sci., 2001. 477: p. L279-L288.
     
  21. Rodriguez, J.A., et al., Density Functional Studies on the Adsorption and Decomposition of SO2 on Cu(100). J. Chem. Phys., 2001. 115: p. 454-465.
     
  22. Rodriguez, J.A., et al., Formation of Mo and MoSx Nanoparticles on Au(111) from Mo(CO)6 and S2 Precursors: Electronic and Chemical Properties. Surf. Sci., 2001. 490: p. 315-326.
     
  23. Rodriguez, J.A., et al., DeNOx Reactions on MgO(100), ZnxMg1-xO(100), CrxMg1-xO(100) and Cr2O3(0001): Correlation between Electronic and Chemical Properties of Mixed-Metal Oxides. J. Phys. Chem. B, 2001. 105(5497-5505).
     
  24. Rodriguez, J.A., Environmental Catalysis and the Chemistry of SO2 on Oxide Surfaces: Fundamental Principles for the Cleavage of S-O Bonds. Ciencia, 2001. 9: p. 139-154.
     
  25. Rodriguez, J.A., et al., Chemistry of NO2 on Oxide Surfaces: Formation of NO3 on TiO2(110) and NO O Vacancy Interactions. J. Am. Chem. Soc., 2001. 123: p. 9597-9605.
     
  26. Rodriguez, J.A., et al., Reaction of SO2 with Pure and Metal-doped MgO: Basic Principles for the Cleavage of S-O Bonds. J. Chem. Phys., 2001. 115: p. 10914-10926.
     
  27. Tolbert, S.H., et al., Phase Transitions in Mesostructured Silica/Surfactant Composites. Part I: Surfactant Packing and the Role of Charge Density Matching. Chem. Mater., 2001. 13: p. 2247-2256.
     
  28. Chang, Z., et al., Synthesis, Electronic and Chemical Properties of MoOx Clusters on Au(111). Surf. Sci., 2002. 512: p. L353-L360.
     
  29. Devi, P.S., et al., Comparison of Citrate-Nitrate Gel Combustion and Precursor Plasma Spray Processes for the Synthesis of Yttrium Aluminum Garnet. J. Mater. Res., 2002. 17: p. 2846-2851.
     
  30. Hrbek, J., Surface Reactions Studied by Synchrotron Based Photoelectron Spectroscopy, in Chemical Applications of Synchrotron Radiation, Part I: Dynamics and VUV Spectroscopy, T.K. Sham, Editor. 2002, World Scientific Publishing Co.: Singapore. p. 573-604.
     
  31. Jensen, T.R., et al., Hydrothermal Synthesis of Lithium Zinc Phosphates; Structural Investigation of Twinned a-Li4Zn(PO4)2 and a high Temperature Polymorph b-Li4Zn(PO4)2. J. Solid State Chem., 2002. 166: p. 341-351.
     
  32. Lee, Y., et al., Non-Framework Cation Migration and Irreversible Pressure-Induced Hydration in a Zeolite. Nature, 2002. 420: p. 485-489.
     
  33. Liu, G., et al., Chemistry of Sulfur-Containing Molecules on Au(111): Thiophene, Sulfur Dioxide, and Methanethiol Adsorption. Surf. Sci., 2002. 505: p. 295-307.
     
  34. Liu, G., et al., Adsorption of Methanethiol on Stoichiometric and Defective TiO2(110) Surfaces: A Combined Experimental and Theoretical Study. J. Phys. Chem. B, 2002. 106: p. 9883-9891.
     
  35. Post, J.E., P.J. Heaney, and J. Hanson, Rietveld Refinement of a Triclinic Structure for synthetic Na-birnessite Using Synchrotron Powder Diffraction Data. Powder Diffraction, 2002. 17: p. 218-221.
     
  36. Rodriguez, J.A., Orbital-Band Interactions and the Reactivity of Molecules on Oxide Surfaces: From Explanations to Predictions. Theo. Chem. Accts., 2002. 107: p. 117-129.
     
  37. Rodriguez, J.A., et al., Experimental and Theoretical Studies on the Reaction of H2 with NiO: Role of O Vacancies and Mechanism for Oxide Reduction. J. Am. Chem. Soc., 2002. 124: p. 346-354.
     
  38. Rodriguez, J.A. and J. Hrbek, Interaction of Sulphur with Bimetallic Surfaces: Effects of Structural, Electronic and Chemical Properties, in The Chemical Physics of Solid Surfaces, D.P. Woodruff, Editor. 2002, Elsevier: United Kingdom. p. 466-494.
     
  39. Rodriguez, J.A., et al., Importance of O Vacancies in the Behavior of Oxide Surfaces: Adsorption of Sulfur on TiO2(110). Phys. Rev. B, 2002. 65: p. 235414-1 - 235414-12.
     
  40. Rodriguez, J.A., et al., Activation of Gold on Titania: Adsorption and Reaction of SO2 on Au/TiO2(110). J. Am. Chem. Soc., 2002. 124: p. 5242-5250.
     
  41. Rodriguez, J.A., J.Y. Kim, and J.C. Hanson, Reduction of CoMoO4 and NiMoO4: In Situ Time-Resolved XRD Studies. Catal. Lett., 2002. 82: p. 103-109.
     
  42. Rodriguez, J.A., et al., Structural and Electronic Properties of PbTiO3, PbZrO3 and PbZr0.5Ti0.5O3: First-Principles Density Functional Studies. J. Chem. Phys., 2002. 117: p. 2699-2709.
     
  43. Rodriguez, J.A., J. Garcia, and L. Gonzalez, Electronic and Chemical Properties of Mixed-Metal Oxides: Adsorption of SO2 on SrTiO3 (001). Chem. Phys. Lett., 2002. 365: p. 380-386.
     
  44. Taasti, K.I., et al., Hydrothermal Synthesis, Single-Crystal Structure Analysis, and Solid-State NMR Characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). J. Solid State Chem., 2002. 164: p. 42-50.
     
  45. Tong, W., et al., Hydrothermal Synthesis and Characterization of Sodium Manganese Oxo-Phosphate Na2Mn2O(PO4)2.H2O. Chem. Mater., 2002. 14: p. 615-620.
     
  46. Yang, Z., R. Wu, and J.A. Rodriguez, A First-Principles Study of the Adsorption of Sulfur on Pt(111): S Core-Level Shifts and the Nature of the Pt-S Bond. Phys. Rev. B., 2002. 65: p. 155409-1 - 155409-9.
     
  47.  Cai, T., et al., Ru Nanoclusters Prepared by Ru3(CO)12 Deposition on Au(111). Surf. Sci., 2003. 538: p. 76-88.
     
  48. Christensen, A.N., et al., Real Time Study of Cement and Clinker Phases Hydration. J. Chem. Soc., Dalton Trans., 2003: p. 1529-1536.
     
  49. Christensen, A.N., et al., In-situ X-ray Powder Diffraction Studies of Hydrothermal and Thermal Decomposition Reactions of Basic Bismuth(III) Nitrates in the Temperature range of 20 - 650 C. J. Chem. Soc., Dalton Trans., 2003: p. 3278-3282.
     
  50. Chupas, P.J., et al., In-Situ Time Resolved Powder Diffraction Studies in Heterogeneous Catalysis: Coupling the Study of Long Range and Local Structural Changes. Comm. Powder Diffraction Newsletter, 2003. 29: p. 24-25.
     
  51. Chupas, P.J., et al., Rapid Acquisition Pair Distribution Function (RA-PDF) Analysis. J. Appl. Crystallography, 2003. 36: p. 1342-1347.
     
  52. Chupas, P.J., et al., A Combined Solid State NMR and Diffraction Study of the Structures and Acidity of Fluorinated Aluminas: Implications for Catalysis". J. Phys. Chem. B, 2003. 107: p. 8327-8336.
     
  53. Dioumaev, V.K., et al., An N-Heterocyclic Carbene as a Bidentate Hemilabile Ligand in W and Mo Hydrogenation Catalysts: A Synchrotron X-ray Diffraction and Density Functional Theory Study. Chem. Commun., 2003: p. 1670-1671.
     
  54. Kim, J.Y., et al., Reduction of CuO and Cu2O with H2: H Embedding and Kinetic Effects in the Formation of Suboxides. J. Am. Chem. Soc., 2003. 125: p. 10684-10692.
     
  55. Lee, Y., et al., Pressure-Induced Hydration at 0.6 GPa in a synthetic Gallosilicate Zeolite. J. Am. Chem. Soc., 2003. 125: p. 6036-6037.
     
  56. Liu, P., et al., The Deposition of Mo Nanoparticles on Au(111) from a Mo(CO)6 Precursor: Effects of CO on Mo-Au Intermixing. Surf. Sci., 2003. 530: p. L313-L321.
     
  57. Liu, P., et al., Interaction of CO, O and S with Metal Nanoparticles on Au(111): A Theoretical Study. Phys. Rev. B, 2003. 67: p. 155416-1 - 155416-10.
     
  58. Liu, G., J.A. Rodriguez, and J. Hrbek, Interaction of Thiophene with Stoichiometric and Reduced Rutile TiO2(110) Surfaces: Role of Ti3+ Sites in Desulfurization Activity. J. Molec. Catal. A: Chemical, 2003. 202: p. 215-227.
     
  59. Liu, P., et al., Chemical Reactivity of Metcar Ti8C12, Nanocrystal Ti14C13 and A Bulk TiC(001) Surface: A Density Functional Study. J. Chem. Phys., 2003. 118: p. 7737-7740.
     
  60. Liu, P. and J.A. Rodriguez, Interaction of Sulfur Dioxide with Titanium-Carbide Nanoparticles and Surfaces: A Density Functional Study. J. Chem. Phys., 2003. 119: p. 10895-10903.
     
  61. Maiti, A., et al., SnO2 Nanoribbons as NO2 Sensors: Insights from First-principles Calculations. Nanoletters, 2003. 3: p. 1025-1028.
     
  62. Parise, J.B., et al., Rietveld Refinement Using Time Resolved Synchrotron X-ray Powder Diffraction Data to Study Transformations in Zeolites. Comm. Powder Diffraction Newsletter, 2003. 29: p. 7-10.
     
  63. Piao, H., et al., Multi-step Reaction Processes in Epoxide Formation from 1-chloro-2-methyl-2-propanol on Ag(110) Revealed by TPXPS and TPD Experiments. J. Phys. Chem. B, 2003. 107: p. 13976-13985.
     
  64. Post, J.E., P.J. Heaney, and J. Hanson, Synchrotron X-ray Diffraction Study of the Structure and Dehydration Behavior of Todorokite. American Mineralogist, 2003. 88: p. 142-151.
     
  65. Post, J.E., et al., Neutron and Temperature-resolved Synchrotron X-ray Powder Diffraction Study of Akaganeite. American Mineralogist, 2003. 88: p. 782-788.
     
  66. Rodriguez, J.A., et al., Coverage Effects and the Nature of the Metal-Sulfur Bond in S/Au(lll): High-resolution Photoemission and Density-functional Studies. J. Am. Chem. Soc., 2003. 125: p. 276-285.
     
  67. Rodriguez, J.A., et al., Electronic and Chemical Properties of Mixed-Metal Oxides: Adsorption and Reaction of NO on SrTiO3(100). J. Chem. Phys., 2003. 118: p. 6562-6571.
     
  68. Rodriguez, J.A., et al., Reduction of CuO in H2: In Situ Time-Resolved XRD Studies. Catal. Lett., 2003. 85: p. 247-254.
     
  69. Rodriguez, J.A., et al., Properties of CeO2 and Cel-xZrxO2 Nanoparticles: XANES, Density Functional, and Time-Resolved XRD Studies. J. Phys. Chem. B, 2003. 107: p. 3535-3543.
     
  70. Rodriguez, J.A., et al., Physical and Chemical Properties of MoP, Ni2P and MoNiP Hydrodesulfurization Catalysts: Time-Resolved X-ray Diffraction, Density Functional, and Hydrodesulfurization Activity Studies. J. Phys. Chem. B, 2003. 107: p. 6276-6285.
     
  71. Rodriguez, J.A., Electronic and Chemical Properties of Mixed-Metal Oxides: Basic Principles for the Design of DeNOx and DeSOx Catalysis. Appl. Catal., 2003. 85: p. 177-192.
     
  72. Rodriguez, J.A., et al., Activation of Au Nanoparticles on Oxide Surfaces: Reaction of SO2 with Au/MgO(100). Chem. Phys. Lett., 2003. 378: p. 526-532.
     
  73. Rodriguez, J.A., et al., The Behavior of Mixed-Metal Oxides: Structural and Electronic Properties of Ce1-xCaxO2 and Ce1-xCaxO2-x. J. Chem. Phys., 2003. 119: p. 5659-5669.
     
  74. Rodriguez, J.A., et al., Adsorption and Decomposition of SO2 on TiC(001): An Experimental and Theoretical Study. Surf. Sci., 2003. 543: p. L675-L682.
     
  75. Song, Z., et al., A Novel Growth Mode of Mo on Au(111) from a Mo(CO)6 Precursor: An STM Study. J. Phys. Chem. B, 2003. 107: p. 1036-1043.
     
  76. Song, Z., et al., Molecular Level Study of the Formation and the Spread of MoO3 on Au(111) by STM and XPS. J. Am. Chem. Soc., 2003. 125: p. 8059-8066.
     
  77. Stahl, K., et al., On the Akaganeite Crystal Structure, Phase Transformations and Possible Role in Post-Excavational Corrosion of Iron Artefacts". Corrosion Science, 2003. 45: p. 2563-.
     
  78. Sullivan, R.M., et al., Sorptive Reconstruction of the CuAlCl4 Framework Upon Reversible Ethylene Binding. J. Am. Chem. Soc., 2003. 125: p. 11065-11079.
     
  79. Wang, J.X., et al., Kinetic Characterization of PtRu Fuel Cell Anode Catalysts Made by Spontaneous Pt Deposition on Ru Nanoparticles. J. Electrochem. Soc., 2003. 150: p. A1108-A1117.
     
  80. Mahajan, D., et al., Sono Synthesis and Characterization of Nanophase Molybdenum-Based Materials for Catalytic Hydrodesulfurization. Appl. Catal. A, in press.
     
  81. Rodriguez, J.A., Electronic and Chemical Properties of Pd in Bimetallic Systems: How Much do we know about Heteronuclear Metal-Metal Bonding?, in The Chemical Physics of Solid Surfaces, D.P. Woodrulf, Editor. in press, Elsevier.
     
  82. Christensen, A.N., et al., Hydrolysis of Pure Calcium Aluminates and Cement Clinker Components Investigated by in-situ Synchrotron X-ray Powder Diffraction. J. Am. Ceramic Soc., submitted.
     
  83. Fernandez-Garcia, M., et al., Nanostructured Oxides in Chemistry: Characterization and Properties. Chem. Rev., submitted.
     
  84. Guo, X., et al., Phase Evolution of Yttrium aluminum Garnet (YAG) in a Citrate-Nitrate Gel combustion Process. Chem. Materials, submitted.
     
  85. Hou, H., et al., A Computational Study of the Geometry and Properties of the Metcars Ti8C12 and Mo8C12. J. Phys. Chem. A, submitted.
     
  86. Liu, P. and J.A. Rodriguez, Effects of Carbon on the Chemical Performance of Transition Metal Carbides: A Density Functional Study. J. Phys. Chem. B, submitted.
     
  87. Liu, G., et al., Adsorption and Reaction of SO2 on Model Ce1-xZrxO2(111) Catalysts. J. Phys. Chem. B, submitted.
     
  88. Liu, P. and J.A. Rodriguez, Catalytic Properties of Molybdenum Carbide, Nitride and Phosphide Catalysts: A Theoretical Study. Catalysis lett., submitted.
     
  89. Rodriguez, J.A., Gold Nanoparticles on Titania: Activation and Behavior, in Dekker Encyclopedia of Nanoscience. submitted, Dekker Publishing: New York, NY.
     
  90. Rodriguez, J.A., Surface Science Studies of DeNOx Catalysts, in Environmental Catalysis, V.H. Grassian, Editor. submitted, Marcel Dekker.
     
  91. Rodriguez, J.A., Activation of Gold on Nanoparticles on Titania: A Novel DeSOx Catalyst. submitted.
     
  92. Rodriguez, J.A., et al., The Adsorption of Sulfur on TiC(001): Photoemission and First-principles Studies. Phys. Lett. B, submitted.
     
  93. Song, Z., et al., Structure and Reactivity of Ru Nanoparticles Supported on Modified Graphite Surfaces: A Study of the Model Catalysts for Ammonia Synthesis. J. Am. Chem. Soc., submitted.
     
  94. Wang, X., et al., Physical Properties and Sintering Behavior of Tb-Doped Cerium Oxide Nanoparticles. J. Phys. Chem. B, submitted.