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Peer-Reviewed Publications

2014 2013 2012 2011 2010

2014

Akatay, M. C.; Zvienevich, Y.; Baumann, P.; Ribeiro, F. H.; and Stach, E.; “Gas Mixing System for Imaging of Nanomaterials under Dynamic Environments by Environmental Transmission Electron Microscopy,” Rev. Sci. Instrum., 2014, 85(3), 033704.

Alba-Rubio, A.; O'Neill, B. J.; Shi, F.; Akatay, C.; Canlas, C. P.; Li, T.; Winans, R. E.; Elam, J. W.; Stach, E. A.; Voyles, P. M.; and Dumesic, J. A.; “Pore Structure and Bifunctional Catalyst Activity of Overlayers Applied by Atomic Layer Deposition on Copper Nanoparticle,” ACS Catal., 2014, 4(5), 1554–1557.

Benavidez, A. D.; Burton, P. D.; Nogales, J. L.; Jenkins, A. R.; Ivanov, S. A.; Miller, J. T.; Karim, A. M.; and Datye, A. K.; “Improved selectivity of Carbon-supported Palladium Catalysts for the Hydrogenation of Acetylene in Excess Ethylene,” Appl. Catal. A: General, 2014, 482, 108–115.

Childers. D. J.; Schweitzer, N. M.; Shahari, S. M. K.; Rioux, R. M.; Miller, J. T.; and Meyer, R. J.; “Modifying Structure-sensitive Reactions by Addition of Zn to Pd,” J. Catal., 2014, 318, 75–84.

Dietrich, P. J., Akatay, M. C. ; Solberger,F. G.; Stach, E. A.; Miller, J. T.; Delgass, W. N., and Ribeiro, F. H.; “Effect of Co Loading on Activity and Selectivity of PtCo Aqueous Phase Reforming Catalysts,” ACS Catal., 2013, 4(2):480–491.

Dietrich, P. J.; Sollberger, F. G.; Akatay, M. C.; Stach, E. A.; Delgass, W. N.; Miller, J. T.; and Ribeiro, F. H.; “Structural and Catalytic Differences in the Effect of Co and Mo as Promoters for Pt-based Aqueous Phase Reforming Catalysts,” Appl. Catal. B, 2014, 156–157, 236–248.

Duan, J.; Kim, Y. T.; Lou, H.; and Huber, G. W.; “Hydrothermally Stable Regenerable Catalytic Supports for Aqueous-phase Conversion of Biomass,” Catal. Today, 2014, 234, 66–74.

Gallagher, J. R.; Li, T.; Zhao, H.; Liu, J.; Lei, Y.; Zhang, X.; Ren, Y.; Elam, J. W.; Meyer, R. J.; Winans, R. E., and Miller, J. T.; “In situ Diffraction of Highly Dispersed Supported Platinum Nanoparticles,” Catal. Sci. & Technol., 2014, 4, 3053–3063.

Gounder, R., “Hydrophobic Microporous and Mesoporous Oxides as Brønsted and Lewis Acid Catalysts for Biomass Conversion in Liquid Water,” Catal. Sci. Technol., 2014, 4, 2877–2886.

Jackson, D. H. K.; Dunn. B. A.; Guan, Y.; and Kuech, T. F.; “Tungsten Hexacarbonyl and Hydrogen Peroxide as Precursors for the Growth of Tungsten Oxide Thin Films on Titania Nanoparticles,” AIChE Journal, 2014, 60(4), 1278–1286.

Kim, H. J.; Lee, J.; Green, S. K.; Huber, G. W.; and Kim, W. B.; “Selective Glycerol Oxidation by Electrocatalytic Dehydrogenation,” ChemSusChem, 2014, 7(4), 1051–1056.

Kim, T.; Assary, R. S.; Pauls, R. E.; Marshall, C. L.; Curtiss, L. A.; and Stair, P. C.; “Thermodynamics and Reaction Pathways of Furfuryl Alcohol Oligomer Formation,” Catal. Commun., 2014, 46(10), 66–70.

Kung, M. C.; Riofski, M. V.; Missaghi, M. N.; and Kung, H. H.; “Organosilicon Platform: Bridging Homogeneous, Heterogeneous, and Bioinspired Catalysis,” Chem. Commun., 2014, 50(25), 3262–3276.

Lee, J.; Jackson, D. H. K.; Li, T.; Winans, R. E.; Dumesic, J. A.; Kuech, T. F.; and Huber, G. W.; “Enhanced Stability of Cobalt Catalysts by Atomic Layer Deposition for Aqueous-Phase Reactions,” Energy & Environ. Sci., 2014, 7(5), 1657–1660.

Lee, J.; Kim, Y.-T.; and Huber, G. W.; “Aqueous-Phase Hydrogenation and Hydrodeoxygenation of Biomass-Derived Oxygenates with Bimetallic Catalysts,” Green Chem., 2014, 16(2), 708–718.

Lei, Y.; Zhao, H.; Rivas, R. D.; Lee, S.; Liu, B.; Lu, J.; Stach, E.; Winans, R. E.; Chapman, K. W.; Greeley, J. P.; Miller, J. T.; Chupas, P. J.; and Elam, J. W.; “Adsorbate-Induced Structural Changes in 1–3 nm Platinum Nanoparticles,” J. Am. Chem. Soc., 2014, 136(26), 9320–9326.

Li, Z.; Assary, R. S.; Atesin, A. C.; Curtiss, L. A.; and Marks, T. J.; “Rapid Ether and Alcohol C-O Bond Hydrogenolysis Catalyzed by Tandem High-Valent Metal Triflate + Supported Pd Catalysts,” J. Amer. Chem. Soc., 2014, 136(1): 104–107.

Liu, B.; Cheng, L.; Curtiss, L.; and Greeley, J.; “Effects of van der Waals Density Functional Corrections on Trends in Furfural Adsorption and Hydrogenation on Close-packed Transition Metal Surfaces,” Surf. Sci., 2014, 622, 51–59.

Liu, J.; Guo, Z.; Childers, D.; Schweitzer, N.; Marshall, C. L.; Klie, R. F.; Miller, J. T.; and Meyer, R. J.; “Correlating the Degree of Metal-promoter Interaction to Ethanol Selectivity over MnRh/CNTs CO Hydrogenation Catalysts,” J. Catal., 2014, 313, 149–158.

Lu, J.; Low, K.-B.; Lei, Y.; Libera, J. A.; Nicholls, A.; Stair, P.C.; and Elam, J. W.; “Toward Atomically-Precise Synthesis of Supported Bimetallic Nanoparticles Using Atomic Layer Deposition,” Nat. Commun., 2014, 5, 3264.

Schwartz, T.; O'Neill, B.; Shanks, B. H.; and Dumesic, J. A., “Bridging the Chemical and Biological Catalysis Gap: Challenges and Outlooks for Producing Sustainable Chemicals,” ACS Catal., 2014, 4(6), 2060–2069.

Shen, J.; Kung, M. C.; Shen, Z.; Wang, Z.; Gunderson, W. A.; Hoffman, B. M.; and Kung, H. H.; “Generating and Stabilizing Co(I) in a Nanocage Environment,” J. Am. Chem. Soc., 2014, 136(14), 5185–5188.

Singh, S.; Li, S.; Carrasquillo-Flores, R.; Alba-Rubio, A. C.; Dumesic, J. A.; and Mavrikakis, M.; “Formic Acid Decomposition on Au Catalysts: DFT, Microkinetic Modeling, and Reaction Kinetics Experiments,” AIChE Journal, 2014, 60(4), 1303–1319.

Wang, H.; Lu, J.; Marshall, C. L.; Elam, J. W.; Miller, J. T.; and Liu, H.; “In situ XANES Study of Methanol Composition and Partial Oxidation to Syn-gas over Supported Pt Catalyst on SrTiO3 Nanocubes,” Catal. Today (2014).

Wu, D.; Yue, D.; You, F.; and Broadbelt, L. J.; “Computational Evaluation of Factors Governing Catalytic 2-Keto Acid Decarboxylation,” J. Mol. Model., 2014, 20(6), 2310.

Yanguas-Gil, A. and Elam, J. W.; “Analytic Expressions for Atomic Layer Deposition: Coverage, Throughput, and Materials Utilization in Cross-flow, Particle Coating, and Spatial Atomic Layer Deposition,” J. Vac. Sci. & Technol. A, 2014, 32, 031504.

Yi, J.; Miller, J. T.; Zemylanov, D. Y.; Zhang, R.; Dietrich, P. J.; Ribeiro, F. H.; Suslov, S.; and Abu-Omar, M. M.; “A Reusable Unsupported Rhenium Nanocrystalline Catalyst for Acceptorless Dehydrogenation of Alcohols through y-C-H Activation,” Angewandte Chemie Int. Ed., 2014, 126(3), 852–855.

Zhang, H.; Gu, X.-K.; Canlas, C.; Kropf, A. J.; Aich, P.; Greeley, J.; Elam, J. W.; Meyer, R. J.; Dumesic, J. A.; Stair, P. C.; and Marshall, C. L.; “Shape Selective ALD Catalyst Application in Biomass Conversion,” accepted by Angew. Chem. Int. Edit. (2014).

Zhang, H.; Lei, Y.; Kropf, A. J.; Zhang, G.; Elam, J. W.; Miller, J. T.; Sollberger, F.; Ribeiro, F.; Akatay, M. C.; Stach, E. A.; Dumesic, J. A.; and Marshall, C. L.; “Enhancing the Stability of Copper Chromite Catalysts for the Selective Hydrogenation of Furfural Using ALD Overcoating,” Catal. Sci. Technol., 2014, 317, 284–292.

2013

Assary, R. S.; Curtiss, L. A.; and Dumesic, J. A.; “Exploring Meerwein-Ponndorf-Verley Reduction Chemistry for Biomass Catalysis using a First-Principles Approach,” ACS Catal., 2013, 3(12), 2694–2704.

Assary, R. S.; Atesin, A. C.; Li, Z.; Curtiss, L. A.; and Marks, T. J.; “Reaction Pathways and Energetics of Etheric C-O Bond Cleavage Catalyzed by Lanthanide Triflates,” ACS Catal., 2013, 3, 1908–1914.

Bolin, T. B.; Wu, T.; Scweitzer, N.; Lobo-Lapidus, R.; Kropf, A. J.; Wang, H.; Hu, Y.; Miller, J. T.; and Heald, S. M.; “In situ Intermediate-energy X-ray Catalysis Research at the Advanced Photon Source Beamline 9-BM,” Catal. Today, 2013, 205, 141–147.

Carrasquillo-Flores, R.; Gallo, J. M. R.; Hahn, K.; Dumesic, J. A.; and Mavrikakis, M.; “Density Functional Theory and Reaction Kinetics Studies of the Water Gas Shift Reaction on PtRe Catalysts,” ChemCatChem, 2013, 5(12), 3690–3699.

Chia, M.; O'Neill, B. J.; Alamillo, R.; Dietrich, P. J.; Ribeiro, F. H.; Miller, J. T.; Dumesic, J. A.; “Bimetallic RhRe/C Catalysts for the Production of Biomass-derived Chemicals,” J. Catal., 2013, 308, 226–236.

Childers, D.; Saha, A.; Scweitzer, N.; Rioux, R. M.; Miller, J. T.; and Meyer, R. J.; “Correlating Heat of Adsorption of CO to Reaction Selectivity: Geometric Effects vs Electronic Effects in Neopentane Isomerization over Pt and Pd Catalysts,” ACS Catal., 2013, 3(11), 2487–2496.

Dietrich, P. J.; Wu, T.; Sumer, A.; Dumesic, J. A.; Jellinek, J.; Delgass, W. N.; Ribeiro, F. H.; and Miller, J. T.; “Aqueous Phase Glycerol Reforming with Pt and PtMo Bimetallic Nanoparticle Catalysts: The Role of the Mo Promoter,” Top. Catal., 2013, 56 (18-20), 1814–1828.

Enterkin, J. A.; Kennedy, R. M.; Lu, J.; Elam, J. W.; Cook, R. E.; Marks, L. D.; Stair, P. C.; Marshall, C. L.; and Poeppelmeier, K. R.; “Epitaxial Stabilization of Face Selective Catalysts,” Top. Catal., 2013, 56(18–20), 1829–1834.

Jackson, D. H. K.; Wang, D.; Gallo, J. M. R.; Cisci, A. J.; Scott, S. L.; Dumesic, J. A.; and Kuech, T. F.; “Amine Catalyzed Atomic Layer Deposition of (3-Mercaptopropyl)trimethoxysilane for the Production of Heterogeneous Sulfonic Acid Catalysts,” Chem. Mater., 2013, 25(19), 3844–3851.

Johns, T. R.; Gaudet, J. R.; Peterson, E. J.; Miller, J. T.; Stach, E. A.; Kim, C. H.; Malogh, M. P.; and Datye, A. K.; “Microstructure of Bimetallic Pt—Pd Catalysts under Oxidizing Conditions,” ChemCatChem 5(9), 2636–2645 (2013).

Kim, T.; Assary, R. S.; Kim, H.; Marshall, C. L.; Gosztola, D. J.; Curtiss, L. A.; and Stair, P. C., “Effects of Solvent on the Furfuryl Alcohol Polymerization Reaction: UV Raman Spectroscopy Study,” Catal. Today, 2013, 205, 60–66.

Kim, Y. T.; Dumesic, J. A.; and Huber, G. W.; “Aqueous-phase Hydrodeoxygenation of Sorbitol: A Comparative Study of Pt/Zr Phosphate and PtAReOx/C,” J. Catal., 2013, 304, 72–85.

Krishna, K. S.; Biswas, S.; Navin, C. V.; Yamane, D. G.; Miller, J. T.; and Kumar, C. S. S. R.; “Millifluidics for Chemical Synthesis and Time-resolved Mechanistic Studies,” JoVE, 2013, 81.

Krishna, K. S.; Navin, C. V.; Biswas, S.; Singh, V.; Ham, K.; Bovenkamp, G. L.; Theegala, C. S.; Miller, J. T.; Spivey, J. J.; and Kuymar, C. S. S. R.; “Millifluidics for Time-resolved Mapping of the Growth of Gold Nanostructures,” JACS, 2013, 135(14), 5450–5456.

Lei, Y.; Lu, J.; Luo, X.; Wu, T.; Du, P.; Zhang, X.; Ren, Y.; Wen, J.; Miller, D. J.; Miller, J. T.; Sun, Y.-K.; Elam, J. W.; and Amine, K., “Synthesis of Porous Carbon Supported Palladium Nanoparticle Catalysts by Atomic Layer Deposition: Application for Rechargeable Lithium-O2 Battery,” Nano Lett., 2013, 13(9), 4182–4189.

Lei, Y.; Lu, J.; Zhao, H.; Liu, B.; Low, K.-B.; Wu, T.; Libera, J. A.; Greeley, J. P.; Chupas, P. J.; Miller, J. T.; and Elam, J. W.; “Resolving Precursor Deligation, Surface Species Evolution, and Nanoparticle Nucleation during Palladium Atomic Layer Deposition,” J. Phys Chem C, 2013, 117(21), 11141–11148.

Lin, Y.; Wen, J.; Hu, L.; Kennedy, R. M.; Stair, P. C.; Poeppelmeier, K. R.; Marks, L.D.; “Synthesis-dependent Atomic Surface Structures of Oxide Nanoparticles,”Phys. Rev. Lett., 2013, 111, 156101.

Liu, B.; and Greeley, J.; "A Density Functional Theory Analysis of Trends in Glycerol Decomposition on Close-Packed Transition Metal Surfaces,” Phys. Chem. Chem. Phys., 2013, 15, 6475–6485.

Liu, D.; Zemlyanov, D.; Wu, T.; Lobo-Lapidus, R.; Dumesic, J. A.; Miller, J. T.; and Marshall, C. L.; “Deactivation MechanisticStudies of Copper Chromite Catalyst for Selective Hydrogenation of 2-Furfuraldehyde,” J. Catal., 2013, 299, 336–345.

Liu, J.; Tao, R.; Guo, Z.; Regalbuto, J. R.; Marshall, C. L.; Klie, R. F.; Miller, J. T.; and Meyer, R. J.; “Selective Adsorption of Manganese onto Rhodium for Optimized Mn/Rh/SiO2 Alcohol Synthesis Catalysts,” ChemCatChem, 2013, 5(12), 3665–3672.

Lu, J.; Elam, J. W.; and Stair, P.C.; “Synthesis and Stabilization of Supported Metal Catalysts by Atomic Layer Deposition,” Acc. Chem. Res. (2013).

Maclennan, A; Banerjee, A.; Hu, Y; Miller, J. T.; and Scott, R. W. J. T.; “In situ X-ray Absorption Spectroscopic Analysis of Gold-Palladium Bimetallic Nanoparticle Catalysts,” ACS Catal., 2013, 3(6), 1411–1419.

O'Neill, B. J.; Jackson, D. H. K.; Crisci, A. J.; Farberow, C. A.; Shi, F.; Alba-Rubio, A. C.; Lu, J.; Dietrich, P. J.; Gu, X.; Marshall, C. L.; Stair, P. C.; Elam, J. W.; Miller, J. T.; Ribeiro, F. H.; Voyles, P. M.; Greeley, J.; Mavrikakis, M.; Scott, S. L.; Kuech, T. F.; and Dumesic, J. A.; “Stabilization of Copper Catalysts for Liquid-Phase Reactions by Atomic Layer Deposition,” Angew. Chem. Int. Edit., 2013, 52(51), 13808–13812.

Shen, Z.; Kim, J., Downing, C. M.; Lee, S.; Kung, H. H.; and Kung, M. C.; “Spherosilicates with Peripheral Malonic Acid and Vinyl End Groups,” Chem. Commun., 2013, 49(32), 3357–3359.

Singh, D.; Soykal, I.; Tian, J.; von Deak, D.; King, J.; Miller, J. T.; and Oskan, U. S.; “In situ Characterization of the Growth of CNx Carbon Nano-structures as Oxygen Reduction Reaction Catalysts,” J. Catal., 2013, 304, 100–111.

Wang, H.; Miller, J. T.; Shakouri, M.; Xi, C.; Zhao, H.; and Akatay, M. C.; “XANES and EXAFS Studies on Metal nanoparticle Growth and Bimetallic Interaction of Ni-based Catalysts for CO2 Reforming of CH4,” Catal. Today, 2013, 207, 3–12.

Wei, H.; Gomez, C.; Liu, J.; Guo, N.; Wu, T.; Lobo-Lapidus, R.; Marshall, C. L.; Miller, J. T.; and Meyer, R. J.; “Selective Hydrogenation of Acrolein on Supported Silver Catalysts: A Kinetics Study of Particle Size Effects,” J. Catal., 2013, 298, 18–26.

Weingarten, R.; Kim, Y. T.; Tompsett, G. A.; Fernández, A.; Han, K. S.; Hagaman, E. W.; Conner Jr., W. C.; Dumesic, J. A.; and Huber, G. W.; “Conversion of Glucose into Levulinic Acid with Solid Metal(IV) Phosphate Catalysts,” J. Catal., 2013, 304, 123–134.

Winans, R.; Lee, S.; Li, T.; Lee, B.; Seifert, S.; Notestein, J.; and Canlas. C.; “In Situ Catalysis Studies with Small Angle Xray Scattering,” Proc. Am. Chem. Soc., Div. Energy Fuels, 2013, 58(2), 627 (Storch Award Winner).

Xiao, C.; Maligal-Ganesh, R. V.; Li, T.; Qi, Z.; Guo, Z.; Brashler, K. T.; Goes, S.; Li, X.; Goh, T. W.; Winans, R. E., and Huang, W.; “High-Temperature-Stable and Regenerable Catalysts: Platinum Nanoparticles in Aligned Mesoporous Silica Wells,” ChemSusChem, 2013, 6(10), 1915–1922.

Xie, H.; Lu, J.; Shekhar, M.; Elam, J.; Delgass, W. N.; Ribeiro, F.; Weitz, E.; and Poeppelmeier, K.; “Synthesis of Na-stabilized Non-porous t-ZrO2 Supports and Pt/t-ZrO2 Catalysts and Application to Water-gas-shift Reaction,” ACS Catal., 2013, 3(1), 61–73.

Yanguas-Gil, A.; Libera, J. A.; and Elam, J. W., “Modulation of the Growth Per Cycle in Atomic Layer Deposition Using Reversible Surface Functionalization,” Chem. Mater., 2013, 25(24), 4849–4860.

2012

Assary, R. S.; Broadbelt, L. J.; and Curtiss, L. A.; “Brønsted-Evans-Polanyi Relationships for C-C Bond Forming and C-C Bond Breaking Reactions in Thiamine-catalyzed Decarboxylation of 2-Keto Acids Using Density Functional Theory,” J. Mol. Model, 2012, 18(1), 145–150.

Assary, R. S.; and Curtiss, L. A.; “Theoretical Studies for the Formation of <Gamma>-valero-lactone from Levulinic Acid and Formic Acid by Homogeneous Catalysis,” Chem. Phys. Lett, 2012,. 541, 21–23.

Assary, R. S.; and Curtiss, L. A.; “Comparison of Sugar Molecule Decomposition through Glucose and Fructose: A High Level Quantum Chemical Study,” Energy & Fuels, 2012, 26(2), 1344–1352.

Assary, R. S.; Curtiss, L. A.; “Thermochemistry and Reaction Barriers for the Formation of Levoglucosenone from Cellobiose,” ChemCatChem, 2012, 4(2), 200–205.

Assary, R. S.; Kim, T.; Low, J.; Greeley, J. P.; and Curtiss, L. A.; “Glucose and Fructose to Platform Chemicals: Understanding the Thermodynamic Landscapes of Acid-catalysed Reactions Using High-level Ab Initio Methods,” Phys. Chem. Chem. Phys., 2012, 14, 16603–16611.

Atesin, A. C.; Ray, N.; Stair, P. C.; and Marks, T. J.,  “Etheric C-O Bond Hydrogenolysis Using a TPndem Lanthanide Triflate/Supported Palladium Nanoparticle Catalyst System,” J. Am. Chem. Soc., 2012, 134(36), 14682–14685.

Bermejo-Deval, R.; Assary, R. S.; Nikolla, E.; Moliner, M.; Roman-Leshkov, Y.; Hwang, S.-J.; Pallsdottir, A.; Silverman, D.; Lobo, R.; Curtiss, L. A.; and Davis, M.; “Metalloenzyme-like Catalyzed Isomerizations of Sugars by Lewis Acid Zeolites,” Proc. Natl. Acad. Sci. USA (PNAS), 2012, 109, 9727–9732.

Biswas, S.; Miller, J. T.; Li, Y.; Nandakumar, K.; and Kumar, C. S. S. R.; “Developing a Millifluidic Platform for the Synthesis of Ultrasmall Nanoclusters: Ultrasmall Copper Nanoclusters as a Case Study,” Small, 2012, 8(5), 687–698.

Canlas, C.; Lu, J.; Ray, N.; Grosso-Giordano, N. A.; Lee, S.; Elam, J. W.; Winans, R. E.; Van Duyne, R. P.; Stair, P. C.; and Notestein, J. M.; “Shape-selective Sieving Layers on an Oxide Catalyst Surface,” Nat. Chem., 2012, 4, 1030–1036.

Dietrich, P. J.; Lobo-Lapidus, R. J.; Wu, T.; Sumer, A.; Akatay, M. C.; Fingland, B. R.; Guo, N.; Dumesic, J. A.; Marshall, C. L.; Stach, E.; Jellinek, J.; Delgass, W. N.; Ribeiro, F. H.; and Miller, J. T.; “Aqueous Phase Glycerol Reforming by PtMo Bimetallic Nano-Particle Catalyst: Product Selectivity and Structural Characterization,” Top. Catal., 2012 , 55(1–2), 53–69.

Gaur, S.; Miller, J. T.; Stellwagen, D. R.; Sanampudi, A.; Kumar, C. S. S. R.; and Spivey, J. J.; “Synthesis, Characterization, and Testing of Supported Au Catalysts Prepared from Atomically-tailored Au38(SC12H25)24 Clusters,” Phys. Chem. Chem. Phys., 2012, 14, 1537–1812.

González Maldonado, G.; Assary, R. S.; Dumesic, J.; Curtiss, L. A.; “Acid-Catalyzed Conversion of Furfuryl Alcohol to Ethyl Levulinate in Liquid Ethanol,” Energy Environ. Sci., 2012, 5, 8990–8997.

González Maldonado, G.; Assary, R. S.; Dumesic, J.; and Curtiss, L.; “Experimental and Theoretical Studies of the Acid-Catalyzed Conversion of Furfuryl Alcohol to Levulinic Acid in Aqueous Solution,” Energy Environ. Sci., 2012, 5, 6981–6989.

Kim, T.; Assary, R. S.; Marshall, C. L.; Gosztola, D. J.; Curtiss, L. A.; and Stair, P. C.; “Studies of the Raman Spectra of Cyclic and Acyclic Molecules: Combination and Prediction Spectrum Methods,” Chem. Phys. Lett., 2012, 531, 210–215.

Kispersky, V. F.; Kropf, A. J.; Ribeiro, F. H.; and Miller, J. T.; “Low Absorption Vitreous Carbon Reactors for Operando XAS: A Case Study on Cu/Zeolites for Selective Catalytic Reduction of NOx by NH3,” Phys. Chem. Chem. Phys., 2012, 14(7), 2229–2238.

Lei, Y.; Liu, B.; Lu, J.; Lobo, R.; Wu, T.; Feng, H; Xia, X.; Mane, A. U.; Libera, J. A.; Greeley, J. P.; Miller, J. T.; and Elam, J. W.; “Synthesis of Pt-Pd Core-shell Nanostructures by Atomic Layer Deposition: Application in Propane Oxidative Dehydrogenation to Propylene,” Chem. Mater., 2012, 24(18), 3525–3533.

Li, T.; Lee, B.; Winans, R. E.; Lee, S.; Miller, J. T.; Suthiwangcharoen, N.; Cook, R. E.; Chattopadhyay, S.; and Shibata, T.; “Synthesis and Characterization of Au-Core Ag-Shell Nanoparticles from Unmodified Apoferritin,” J. Mater. Chem., 2012, 22, 14458–14464.

Lin, C.-K.; Lin, Y.-G.; Wu, T.; Barkholtz, H. M.; Lin, Q.; Wei, H.; Brewe, D. L.; Miller, J. T.; Liu, D.-J.; Ren, Y.; Ito, Y.; and Xu, T. “Direct Synthesis of Bimetallic Pd3Ag Nanoalloys from Bulk Pd3Ag Alloy,” Inorg. Chem., 2012, 51(24), 13281–13288.

Liu, B.; and Greeley, J.; “Density Functional Theory Study of Selectivity Considerations for C-C vs. C-O Bond Scission in Glycerol Decomposition on Pt(111),” Top. Catal., 2012, 55 (5–6), 280–289.

Lobo, R.; Marshall, C. L.; Dietrich, P.; Ribeiro, F.; Akatay, C.; Stach, E. A.; Mane, A.; Lei, Y.; Elam, J.; Miller, J. T., “Understanding the Chemistry of H2, Production for 1-Propanol Reforming: Pathway and Support Modification Effects,” ACS Catal., 2012, 2, 2316–2326.

Lu, J.; Fu, B.; Kung, M. C.; Xiao, G.; Elam, J. W.; Kung, H. H.; and Stair, P. C.; “Coking- and Sintering-Resistant Palladium Catalysts Achieved Through Atomic Layer Deposition,” Science, 2012, 335(6073), 1205–1208.

Lu, J.; Lei, Y.; and Elam, J. W., “Atomic Layer Deposition of Noble Metals — New Developments in Nanostructured Catalysts,” in Noble Metals, Y.-H. Su, ed., InTech, ISBN: 978-953-307-898-4, (2012).

Lu, J.; Liu, B.; Greeley, J.; Feng, X.; Libera, J.; Lei, Y.; Bedzyk, M.; Stair, P.; and Elam, J.; “Porous Alumina Protective Coatings on Palladium Nanoparticles by Self-Poisoned Atomic Layer Deposition,” Chem. Mater., 2012, 24(11), 2047–2055.

O'Neill, B. J.; Gürbüz, E. I.; and Dumesic, J. A., “Reaction Kinetics Studies of the Conversions of Formic Acid and Butyl Formate over Carbon-supported Palladium in the Liquid Phase,” J. Catal., 2012, 290, 193–201.

Ray, N. A.; Van Duyne, R. P.; and Stair, P. C.; “Synthesis Strategy for Protected Metal Nanoparticles,” J. Phys. Chem. C., 2012, 116 (14), 7748–7756.

Wiedmann, M. K.; Jackson, D. H. K.; Pagan-Torres, Y. J.; Cho, E.; Dumesic, J. A.; and Kuech, T. F.; “Atomic Layer Deposition of Titanium Phosphate on Silica Nanoparticles,” J. Vac. Sci. Technol., A, 30, 01A134 (2012).

Wu, T.; Childers, D. J.; Gomez, C.; Karim, A.; Schweitzer, N. M.; Kropf, A. J.; Wang, H.; Bolin, T. B.; Hu, Y.; Kovarik, L.; Meyer, R. J.; and Miller, J. T.; “A General Method for Determination of the Surface Composition in Bimetallic Nanoparticle Catalysts from the L-edge X-ray Absorption Near-Edge Spectra,” ACS Catal., 2012, 2(11), 2433–2443.

Zhang, J. and Weitz, E.; “An in situ NMR Study of the Mechanism for the Catalytic Conversion of Fructose to 5-hydroxymethylfurfural and then to Levulinic Acid Using 13C Labeling D-fructose,” ACS Catal., 2012, 2, 1211–1218.

2011

Assary, R. S.; and Curtiss, L. A.; “Theoretical Study of 1,2-Hydride Shift Associated with the Isomerization of Glyceraldehyde to Dihydroxy Acetone by Lewis Acid Active Site Models,” J. Phys. Chem. A, 2011, 115 (31), 8754–8760.

Assary, R. S.; Redfern, P. C.; Greeley, J.; and Curtiss, L. A.; “Mechanistic Insights into the Decomposition of Fructose to Hydroxy-Methyl-Furfural in Neutral and Acidic Environments Using High-Level Quantum Chemical Methods,” J. Phys. Chem. B, 2011, 115 (15), 4341–4349.

Buchbinder, A. M.; Ray, N. A.; Lu, J.; Van Duyne, R. P.; Stair, P. C.; Weitz, E.; and Geiger, F. M.; “Displacement of Hexanol by the Hexanoic Acid Overoxidation Product in Alcohol Oxidation on a Model Supported Palladium Nanoparticle Catalyst,” J. Am. Chem. Soc., 2011, 133, 17816-17823.

Cheng, L.; Curtiss, L. A.; Assary, R. S.; Greeley, J.; Kerber, T.; and Sauer, J.; “Adsorption and Diffusion of Fructose in Zeolite HZSM-5: Selection of Models and Methods for Computational Studies,” J. Phys. Chem. C, 2011, 115(44) 21785–21790.

Elam, J. W.; Dasgupta, N. P.; and Prinz, F. B.; “ALD for Clean Energy Conversion, Utilization, and Storage,” MRS Bull., 2011, 36(11), 899–906.

Feng, H.; Libera, J. A.; Stair, P. C.; Miller, J. T.; and Elam, J. W.; “Subnanometer Palladium Particles Synthesized by Atomic Layer Deposition,” ACS Catal., 2011, 1(6), 665–673.

Kandoi, S.; Greeley, J.; Simonetti, D.; Shabaker, J.; Dumesic, J. A.; and Mavrikakis, M.; “Reaction Kinetics of Ethylene Glycol Reforming over Platinum in the Vapor versus Aqueous Phases,” J. Phys. Chem. C, 2011, 115, 961971.

Kaur, P.; Hupp, J. T.; and Nguyen, SB. T.; “Porous Organic Polymers in Catalysis: Opportunities and Challenges,” ACS Catal., 2011, 1, 819–835.

Kim, T. J.; Assary, R. S.; Curtiss, L. A.; Marshall, C. L.; and Stair, P. C.;  “Vibrational Properties of Levulinic Acid and Furan Derivatives:
Raman Spectroscopy and Theoretical Calculations,”J. Raman Spectrosc., 2011, 42, 2069–2076.

Kim, T. J.; Assary, R. S.; Marshall, C. L.; Gosztola, D. J.; Curtiss, L. A.; and Stair, P. C.; “Acid-catalyzed Furfuryl Alcohol Polymerization: Characterizations of Molecular Structure and Thermodynamic Properties,” ChemCatChem, 2011, 3 (9), 1451–1458.

Liu, B.; and Greeley, J.; “Decomposition Pathways of Glycerol via C-H, O-H and C-C Bond Scission on Pt(111): A Density Functional Theory Study,” J. Phys. Chem. C, 2011, 115(40), 19702–19709.

Pagán-Torres, Y. J.; Gallo, J. M. R.; Wang, D.; Pham, H. N.; Libera, J. A.; Marshall, C. L.; Elam, J. W.; Datye, A. K.; and Dumesic, J. A.; “Synthesis of Highly Ordered Hydrothermally Stable Mesoporous Niobia Catalysts by Atomic Layer Deposition,” ACS Catal., 2011, 1, 1234–1245.

Shultz, A. M.; Farha, O. K.; Hupp, J. T.; and Nguyen, SB. T.; “Synthesis of Catalytically Active Porous Organic Polymers from Metalloporphyrin Building Blocks,” Chem. Sci. 2011, 2, 686–689.

Wiedmann, M. K.; Pagan-Torres, Y. J.; Tucker, M. H.; Dumesic, J. A.; and Kuech, T. F.; “Atomic Layer Deposition for Improved Stability of Catalysts for the Conversion of Biomass to Chemicals and Fuels,” Mater. Res. Soc. Symp. Proc., 2011, 1366, pp. mrss11-1366–uu04-04.

Wu, D.; Wang, Q.; Assary, R. S.; Broadbelt, L. J.; and Krilov, G.; “A Computational Approach to Design and Evaluate Enzymatic Reaction Pathways: Application to 1-Butanol Production from Pyruvate,” J. Chem. Inf. Model., 2011, 51 (7), 1634–1647.

Yuan, X.; Liu, L.; Wang, X; Yang, M.; Jackson, K. A.; and Jellinek, J.; “Theoretical Investigation of Adsorption of Molecular Oxygen on Small Copper Clusters,” J. Phys. Chem. A, 2011, 115(31), 8705–8712.

2010

Assary, R. S.; Redfern, P. C.; Hammond, J. R.; Greeley, J.; and Curtiss, L. A.; “Predicted Thermochemistry for Chemical Conversions of 5-Hydroxymethylfurfural,” Chem. Phys. Lett., 497, 2010, 123–128.

Assary, R. S. ; Redfern, P. C. ; Hammond, J. R.; Greeley, J.; and Curtiss, L. A.; “Computational Studies of the Thermochemistry for Conversion of Glucose to Levulinic Acid,” J. Phys. Chem. B, 2010 , 114 (27), 9002–9009.

Christensen, S. T.; Feng, H.; Libera, J. L.; Guo, N.; Miller, J. T.; Stair, P. C.; and Elam, J. W.; “Supported Ru−Pt Bimetallic Nanoparticle Catalysts Prepared by Atomic Layer Deposition,” Nano Lett. 2010, 10 (8), 3047–3051.

Setthapun, W.; Williams, W. D.; Kim, S. M.; Feng, H.; Elam, J. W.; Rabuffetti, F. A.; Poeppelmeier, K. R.; Stair, P. C.; Stach, E. A.; Ribeiro, F. H.; Miller, J. T.; and Marshall, C. L.; “Genesis and Evolution of Surface Species during Pt Atomic Layer Deposition on Oxide Supports Characterized by in Situ XAFS Analysis and Water-Gas Shift Reaction,” J. Phys. Chem. C, 2010, 114, 9758–9771.

 


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