2008 Publications
Andersen A, N Govind, and L Subramanian. 2008. "Theoretical Study of the Mechanism Behind the para-Selective Nitration of Toluene in Zeolite H-Beta." Molecular Simulation. doi:10.1080/08927020802191958
Averkiev BB, S Call, AI Boldyrev, L Wang, W Huang, and LS Wang. 2008. "Photoelectron Spectroscopy and Ab Initio Study of the Structure and Bonding in A17N- and A17N." Journal of Physical Chemistry A 112(09):1873-1879.
Bell AT, BC Gates, D Ray, and MR Thompson. 2008. Basic Research Needs: Catalysis for Energy. PNNL-17214, Pacific Northwest National Laboratory, Richland, WA.
Bowmaker GA, JV Hanna, FE Hahn, AS Lipton, CE Oldham, BW Skelton, ME Smith, and AH White. 2008. "Structural and Spectroscopic Studies of Some Copper(I) halide tert-butyl isocyanide Adducts." Journal of the Chemical Society. Dalton Transactions 2008(13):1710-1720. doi:10.1039/b712815k.
Chambers SA. 2008. "Molecular beam epitaxial growth of doped oxide semiconductors." Journal of Physics. Condensed Matter 20(26):Art. No. 264004.
Cheng TY, DJ Szalda, JC Hanson, JT Muckerman, and RM Bullock. 2008. "Four-Electron Donor Hemilabile n3-PPh3 Ligand that Binds Through a C = C Bond Rather than an Agostic C-H Interaction, and Displacement of the C = C by Methyl Iodide or Water." Organometallics 27(15):3785-3795.
Cheng Y, J Hoard, C Lambert, JH Kwak, and CHF Peden. 2008. "NMR Studies of Cu/zeolite SCR Catalysts Hydrothermally Aged with Urea." Catalysis Today 136(1-2):34-39. doi:10.1016/j.cattod.2008.01.019.
Cheung SH, P Nachimuthu, MH Engelhard, CM Wang, and SA Chambers. 2008. "N Incorporation, Composition and Electronic Structure in N-doped TiO2(001) Anatase Epitaxial Films Grown on LaAlO3(001)." Surface Science 602(1):133-141. doi:10.1016/j.susc.2007.09.061.
Campbell AA. 2008. EMSL Strategic Plan 2008. PNNL-17753, Pacific Northwest National Laboratory, Richland, WA.
Dietrich BL, KI Goldberg, DM Heinekey, T Autrey, and JC Linehan. 2008. "Iridium Catalyzed Dehydrogenation of Substituted Amine-Boranes: Kinetics, Thermodynamics and Implications for Hydrogen Storage." Inorganic Chemistry 47(19):8583-8585.
Disselkamp RS, BD Harris, JN Patel, TR Hart, and CHF Peden. 2008. "Propanal synthesis from aqueous propylene glycol/hydrogen peroxide on a Ru/alumina catalyst." Inorganic Chemistry Communications 11(5):561-563. doi:doi:10.1016/j.inoche.2008.01.024.
Elliott DC, J Holmgren, R Marinangelli, P nair, and R Bain. 2008. "Consider Upgrading Pyrolysis Oils into Renewable Fuels." Hydrocarbon Processing 87(9):95-103.
Epling WS, I Nova, and CHF Peden. 2008. "Preface." Catalysis Today 136(1-2):1-2. doi:10.1016/j.cattod.2008.03.008.
Epling WS, CHF Peden, and J Szanyi. 2008. "Carbonate Formation and Stability on a Pt/BaO/γ-Al2O3 NOx Storage/Reduction Catalyst." Journal of Physical Chemistry 112(29):10952-10959. doi:10.1021/jp712180q.
Fernandez CA, RJ Wiacek, N Ponnusany, GE Fryxell, AM Pierson, CL Warner, MG Warner, and RS Addleman. 2008. "A Simple Method for the Prevention of Non-Specific Adsorption by Nanocrystals onto Surfaces." Journal of Nanoscience and Nanotechnology 5(8):5781-5786.
Fister TT, FD Vila, GT Seidler, L Svec, JC Linehan, and JO Cross. 2008. "The Local Electronic Structure of Dicarba-closo-dodecaboranes C2B10H12." Journal of the American Chemical Society 130(3):925-932. doi:10.1021/ja074794u.
Fox E, S Velu, MH Engelhard, YH Chin, JT Miller, J Kropf, and C Song. 2008. "Characterization of CeO2-Supported Cu-Pd Bimetallic Catalyst for the Oxygen-Assisted Water-Gas Shift Reaction." Journal of Catalysis 260(2).
Gates BC, G Huber, CL Marshall, PN Ross, J Siirola, and Y Wang. 2008. "Catalysts for Emerging Energy Applications." MRS Bulletin 33(4):429-435.
Gerber MA, JF White, MJ Gray, and DJ Stevens. 2008. Evaluation of Promoters for Rhodium-Based Catalysts for Mixed Alcohol Synthesis. PNNL-17857, Pacific Northwest National Laboratory, Richland, WA.
Herrera JE, JH Kwak, JZ Hu, Y Wang, and CHF Peden. 2008. "Effects of Novel Supports on the Physical and Catalytic Properties of Tungstophosphoric Acid for Alcohol Dehydration Reactions." Topics in Catalysis 49(3-4):259-267. doi:10.1007/s11244-008-9081-4
Hess NJ, ME Bowden, VM Parvanov, CJ Mundy, SM Kathmann, GK Schenter, and T Autrey. 2008. "Spectroscopic Studies of the Phase Transition in Ammonia Borane: Raman Spectroscopy of Single Crystal NH3BH3 as a Function of Temperature from 88 to 330 K." Journal of Chemical Physics 128(3): Art. No. 034508. doi:10.1063/1.2820768.
Karkamkar AJ. 2008. BET Surface Area Measurements of Silica Nanosprings. PNNL-17648, Pacific Northwest National Laboratory, Richland, Washington.
Karkamkar AJ, WJ Shaw, TD Smurthwaite, JC Linehan, T Autrey, Z Xiong, YS Chua, and C Ping. 2008. "Interaction of lithium hydride and ammonia borane in THF ." Chemical Communications 43:5595-5597. doi:10.1039/b812576g
Karakoti AS, S Kuchibhatla, DR Baer, S Thevuthasan, DC Sayle, and S Seal. 2008. "Self-Assembly of Cerium Oxide Nanostructures in Ice Molds." Small 4(8):1210-1216.
Kim DH, JH Kwak, X Wang, J Szanyi, and CHF Peden. 2008. "Sequential high temperature reduction, low temperature hydrolysis for the regeneration of sulfated NOx trap catalysts." Catalysis Today 136(1-2):183-187. doi:doi:10.1016/j.cattod.2007.12.134.
Kim DH, YH Chin, JH Kwak, and CHF Peden. 2008. "Promotional Effects of H2O Treatment on NOx Storage over Fresh and Thermally Aged Pt-BaO/Al2O3 Lean NOx Trap Catalysts." Catalysis Letters 124(1-2):39-45.
Kim DH, JH Kwak, J Szanyi, SJ Cho, and CHF Peden. 2008. "Roles of Pt and BaO in the Sulfation of Pt/BaO/Al2O3 Lean NOx Trap Materials: Sulfur K-edge XANES and Pt LIII XAFS Studies." Journal of Physical Chemistry C 112(8):2981-2987. doi:10.1021/jp07.
Kim J, JW Grate, and P Wang. 2008. "Nanobiocatalysis and Its Potential Applications." Trends in Biotechnology 26(11):639-646.
Kim YK, BD Kay, JM White, and Z Dohnalek. 2008. "2-Propanol Dehydration on TiO2(110): The Effect of Bridge-Bonded Oxygen Vacancy Blocking." Surface Science 602(2):511-516.
King DL, JJ Strohm, X Wang, HS Roh, CM Wang, YH Chin, Y Wang, Y Lin, RT Rozmiarek, and P Singh. 2008. "Effect of Nickel Microstructure on Methane Steam Reforming Activity of Ni-YSZ Cermet Anode Catalyst." Journal of Catalysis 258(2):356-365.
Kwak JH, DH Kim, J Szanyi, and CHF Peden. 2008. "Excellent Sulfur Resistance of Pt/BaO/CeO2 Lean NOx Trap Catalysts." Applied Catalysis. B, Environmental 84(3-4):545-551. doi:10.1016/j.apcatb.2008.05.009
Kwak JH, JZ Hu, AC Lukaski, DH Kim, J Szanyi, and CHF Peden. 2008. "The Role of PentaCoordinated Al3+ Ions in the High Temperature Phase Transformation of γ-Al2O3." Journal of Physical Chemistry C 112(25):9486-9492. doi:10.1021/jp802631u.
Lei C, TA Soares, Y Shin, J Liu, and EJ Ackerman. 2008. "Enzyme Specific Activity in Functionalized Nanoporous Supports." Nanotechnology 19(12): Art. No. 125102. doi:10.1088/0957-4484/19/12/125102.
Lutzenkirchen J, JFF Boily, L Gunneriusson, L Lovgren, and S Sjojberg. 2008. "Protonation of Different Goethite Surfaces - Unified Models for NaNO3 and NaCl Media." Journal of Colloid and Interface Science 317(1):155-165.
Matsubara T, M Dupuis, and M Aida. 2008. "An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase." Journal of Computational Chemistry 29(3):458-465.
Mei D, NA Deskins, M Dupuis, and Q Ge.2008. "Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface." Journal of Physical Chemistry C 112(11):4257-4266.
Mei D, Q Ge, JH Kwak, DH Kim, J Szanyi, and CHF Peden. 2008. "Adsorption and Formation of BaO Overlayers on Gamma-Al2O3 Surfaces." Journal of Physical Chemistry C 112(46):18050-18060. doi:10.1021/jp806212z
Mundy CJ, W Kuo, MJ McGrath, and JI Siepmann. 2008. "Structure of the Methanol Liquid-Vapor Interface: A Comprehensive Particle-Based Study." Journal of Physical Chemistry C 112(39):15412-15418.
Ott K, CL Aardahl, and F Lipiecki. 2008. Milestone Report: 2Q FY08 Downselect of Chemical Hydrogen Storage Materials, Catalysts, and Spent Fuel Regeneration Processes. PNNL-17301, Pacific Northwest National Laboratory, Richland, WA.
Ozensoy E, DR Herling, and J Szanyi. 2008. "NOx Reduction on a Transition Metal-free γ-Al2O3 Catalyst Using Dimethylether (DME)." Catalysis Today 136(1-2):46-54.
Parvanov VM, GK Schenter, NJ Hess, LL Daemen, MA Hartl, AC Stowe, DM Camaioni, and T Autrey. 2008. "Materials for Hydrogen Storage: Structure and Dynamics of Borane Ammonia Complex." Journal of the Chemical Society. Dalton Transactions (33):4514-4522.
Rakowski DuBois M, and DL DuBois. 2008. "The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation." Chemical Society Reviews. [In Press]
Saheb AH, JA Smith, M Josowicz, J Janata, DR Baer, and MH Engelhard. 2008. "Controlling Size of Gold Clusters in Polyaniline from Top-Down and from Bottom-Up." Journal of Electroanalytical Chemistry 621(2):238-244. doi:10.1016/j.jelechem.2007.11.025
Shao Y, R Kou, J Wang, VV Viswanathan, JH Kwak, J Liu, Y Wang, and Y Lin. 2008. "The Influence of the Electrochemical Stressing (Potential Step and Potential-Static Holding) on the Degradation of Polymer Electrolyte Membrane Fuel Cell Electrocatalysts." Journal of Power Sources 185(1):280-286. doi:10.1016/j.jpowsour.2008.07.008
Shaw WJ, JC Linehan, NK Szymczak, DJ Heldebrant, CR Yonker, DM Camaioni, RT Baker, and T Autrey. 2008. "In Situ Multinuclear NMR Studies of the Thermal Decomposition of Ammonia Borane in Solution." Angewandte Chemie International Edition 47(39):7493-7496.
Shin Y, GE Fryxell, C Johnson, and MM Haley. 2008. "Templated Synthesis of Pyridine Functionalized Mesoporous Carbons through the Cyclotrimerization of Diethynylpyridines." Chemistry of Materials 20(3):981-986. doi:10.1021/cm070979o.
Shin Y, IT Bae, BW Arey, and GJ Exarhos. 2008. "Facile stabilization of gold-silver alloy nanoparticles on cellulose nanocrystal." Journal of Physical Chemistry C 112(13):4844-4848. doi:10.1021/jp710767w.
Thallapally PK, BP McGrail, JL Atwood, J Tian, SJ Dalgarno, RK Motkuri, and CA Fernandez. 2008. "Flexible (Breathing) Interpenetrated Metal?Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130(50):16842-16843.
Verrier CLM, JH Kwak, DH Kim, CHF Peden, and J Szanyi. 2008. "NOx uptake on alkaline earth oxides (BaO, MgO, CaO and SrO) supported on γ-Al2O3." Catalysis Today 136(1-2):121-127. doi:10.1016/j.cattod.2007.12.138.
Wang D, D Choi, Z Yang, VV Viswanathan, Z Nie, CM Wang, Y Song, J Zhang, and J Liu. 2008. "Synthesis and Li-ion Insertion Properties of Highly Crystalline Mesoporous Rutile TiO2." Chemistry of Materials 20(10):3435-3442.
Wang D, Z Ma, S Dai, J Liu, Z Nie, MH Engelhard, Q Huo, CM Wang, and R Kou. 2008. "Low-Temperature Synthesis of Tunable Mesoporous Crystalline Transition Metal Oxides and Applications as Au Catalyst Supports." Journal of Physical Chemistry C 112(35):13499-13509. doi:10.1021/jp804250f
Wang Y, J Liu, Y Lin, VV Viswanathan, JH Kwak, R Kou, and Y Shao. 2008. Development of Alternative and Durable High Performance Cathode Supports for PEM Fuel Cells. PNNL-17724, Pacific Northwest National Laboratory, Richland, WA.
Wang Z, XT Zu, HY Xiao, F Gao, and WJ Weber. 2008. "Tuning the Band Structures of Single Walled Silicon Carbide Nanotubes with Uniaxial Strain: A First Principles Study." Applied Physics Letters 92(18):183116. doi:10.1063/1.2924307.
Wilson A, K Fraze, B Twamley, SM Miller, DL DuBois, and MC DuBois. 2008. "The Role of the Second Coordination Sphere of [Ni((P2N2Bz)-N-Cy)(2)](BF4)(2) in Reversible Carbon Monoxide Binding." Journal of the American Chemical Society 130(3):1061-1068. doi:10.1021/ja077328d.
Xiao H, XT Zu, F Gao, and WJ Weber. 2008. "First-principles Study of Energetic and Electronic Properties of A2Ti2O7 (A=Sm, Gd, Er) Pyrochlore." Journal of Applied Physics 104(7):073503. doi:10.1063/1.2986156
Yang Y, C Mims, RS Disselkamp, D Mei, JH Kwak, J Szanyi, CHF Peden, and CT Campbell. 2008. "Isotope Effects in Methanol Synthesis and the Reactivity of Copper Formates on a Cu/SiO2 Catalyst." Catalysis Letters 125(3-4):201-208. doi:10.1007/s10562-008-9592-4.
Xiong Z, CK Yong, G Wu, P Chen, WJ Shaw, AJ Karkamkar, T Autrey, MO Jones, S Johnson, P Edwards, and B David. 2008. "High-capacity Hydrogen Storage in Lithium and Sodium Amidoboranes." Nature Materials 7(2):138-141. doi:10.1038/nmat2081.
Yang ZG. 2008. "Recent Advances in Metallic Interconnects for Solid Oxide Fuel Cells." International Materials Reviews 53(1):39-54.
Zhai HJ, LL Pan, B Dai, B Kiran, J Li, and LS Wang. 2008. "Chemisorption-Induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n-(n=4-9)." Journal of Physical Chemistry 112(31):11920-11928.
Zhang Z, RJ Rousseau, J Gong, SC Li, BD Kay, Q Ge, JM White, and Z Dohnalek. 2008. "Vacancy Assisted Diffusion of Alkoxy Species on Rutile TiO2(110)." Physical Review Letters 101(15):art no. 156103.
Zheng H, D Ma, X Bao, JZ Hu, JH Kwak, Y Wang, and CHF Peden. 2008. "Direct Observation of the Active Center for Methane Dehydroaromatization Using an Ultrahigh Field 95Mo NMR Spectroscopy." Journal of the American Chemical Society 130(12):3722-3723. doi:10.1021/ja7110916.
