Peer-Reviewed Publications

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,” accepted by ACS Catal. (2013).

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,” accepted by Top. Catal. (2013).

Liu, B.; and Greeley, J.; “A Density Functional Theory Analysis of Trends in Glycerol Decomposition on Close-Packed Transition Metal Surfaces,” accepted by Phys. Chem. Chem. Phys. (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, 250, 60–66.

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

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

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, 3357.

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.

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.

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., 2012, 3, 61–73.

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.

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.

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.

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).

Kim, T.; Assary, R. S.; Kim, H.; Marshall, C. L.; Gostztola, D. J.; Curtiss, L. A.; and Stair, P. C.; “Effects of Solvent on the Furfuryl Alcohol Polymerization Reaction-UV Raman Spectroscopy Study,” Catal. Today, 2012, 205, 60–66.

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.

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.

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.

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..

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 H_2, Production for 1-Propanol Reforming: Pathway and Support Modification Effects,” ACS Catal., 2012, 2, 2316–2326.

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.

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

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.

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.

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

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, 5, 688–698.

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.

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 NO_x by NH₃,” Phys. Chem. Chem. Phys., 2012, 14(7), 2229–2238.

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.

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, 9, 1205–1208.

Ray, N. A.; Van Duyne, R. P.; and Stair, P. C.; “Synthesis Strategy for Protected Metal Nanoparticles,” J. Phys. Chem. C., 2012, 116 (14), 1344–135.

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).

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

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.

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.

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.

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.

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., 2011, 14, 1537–1812.

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.

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.

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.

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.

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.

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.

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.

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

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), pp 4341–4349.

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.

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.

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, 961–971.

2010

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.

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, 123–128 (2010).

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.

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.

May 2013