2009 Publications
Zhenrong Zhang (seated) and Zdenek Dohnalek
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Appel AM, SJ Lee, JA Franz, DL DuBois, and M Rakowski DuBois. 2009. "Free Energy Landscapes for S-H Bonds in Cp*2Mo2S4 Complexes." Journal of the American Chemical Society. doi:10.1021/ja8093179
Baer DR, MH Engelhard, AR Felmy, JJ Ford, JZ Hu, AS Lea, P Nachimuthu, LV Saraf, JA Sears, and S Thevuthasan. 2009. "New Approaches for Characterizing Sensor and Other Modern Complex Materials." ECS Transactions 19(6):137-148. doi:10.1149/1.3118546
Daschbach JL, X Sun, TM Chang, PK Thallapally, BP McGrail, and LX Dang. 2009. "Computational studies of load dependent guest dynamics and free energies of inclusion for CO2 in low density p-tert-butylcalix[4]arene at loadings up to 2:1." Journal of Physical Chemistry A 113(14):3369-3374.
Deskins NA, RJ Rousseau, and M Dupuis. 2009. "Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110)." Journal of Physical Chemistry C 113(33):14583-14586.
Deskins NA, and M Dupuis. 2009. "Intrinsic Hole Migration Rates in TiO2 from Density Functional Theory." Journal of Physical Chemistry C 113(1):346-358.
Dooley JJ, CL Davidson, and RT Dahowski. 2009. An Assessment of the Commercial Availability of Carbon Dioxide Capture and Storage Technologies as of June 2009. PNNL-18520, Pacific Northwest National Laboratory, Richland, WA.
DuBois MR and DL DuBois. 2009. "The role of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation." Chemical Society Reviews 38:62-72.
See Research Highlight.
Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Imaging Consecutive Steps of O2 Reaction with Hydroxylated TiO2(110): Identification of HO2 and Terminal OH Intermediates." Journal of Physical Chemistry C 113(2):666-671.
See Research Highlight.
Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110)." Physical Review Letters. doi:10.1103/PhysRevLett.102.096102.
See Research Highlight.
Fernandez CA, JG Bekhazi, EM Hoppes, GE Fryxell, RJ Wiacek, JT Bays, MG Warner, CM Wang, JE Hutchinson, and RS Addleman. 2009. "Advancements Toward the Greener Processing of Engineered Nanomaterials—Effect of Core Size on the Dispersibility and Transport of Gold Nanocrystals in Near-Critical Solvents." Small. doi:DOI: 10.1002/smll.200801207
Gupta S, SVNT Kuchibhatla, MH Engelhard, V Shutthanandan, P Nachimuthu, W Jiang, LV Saraf, S Thevuthasan, and S Prasad. 2009. "Influence of samaria doping on the resistance of ceria thin films and its implications to the planar oxygen sensing devices." Sensors and Actuators. B, Chemical 139(2):380-386. doi:10.1016/j.snb.2009.03.021
Hu JZ, JA Sears, Jr, JH Kwak, DW Hoyt, Y Wang, and CHF Peden. 2009. "An Isotropic Chemical Shift-Chemical Shift Anisotropic Correlation Experiment Using Discrete Magic Angle Turning." Journal of Magnetic Resonance 198(1):105-110.
Hu JZ, JH Kwak, Y Wang, CHF Peden, H Zheng, D Ma, and X Bao. 2009. "Studies of the Active Sites for Methane Dehydroaromatization Using Ultrahigh-Field Solid-State Mo95 NMR Spectroscopy." Journal of Physical Chemistry C 113(7):2936-2942. doi:10.1021/jp8107914
Jones SB, C Valkenburg, CW Walton, DC Elliott, JE Holladay, DJ Stevens, C Kinchin, and S Czernik. 2009. Production of Gasoline and Diesel from Biomass via Fast Pyrolysis, Hydrotreating and Hydrocracking: A Design Case. PNNL-18284 Rev. 1, Pacific Northwest National Laboratory, Richland, WA.
Kang X, J Wang, Z Tang, H Wu, and Y Lin. 2009. "Direct electrochemistry and electrocatalysis of horseradish peroxidase immobilized in hybrid organic-inorganic film of chitosan/sol-gel/carbon nanotubes." Talanta 78(1):120-125.
Kathmann SM, GK Schenter, BC Garrett, B Chen, and JI Siepmann. 2009. "Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation." Journal of Physical Chemistry C 113(24):10354-10370. doi:10.1021/ja802851w.
See Research Highlight.
Kathmann SM, VM Parvanov, GK Schenter, AC Stowe, LL Daemen, MA Hartl, JC Linehan, NJ Hess, AJ Karkamkar, and T Autrey. 2009. "Experimental and Computational Studies on Collective Hydrogen Dynamics in Ammonia Borane: Incoherent Inelastic Neutron Scattering." Journal of Chemical Physics 130(2):024507. doi:10.1063/1.3042270
Kim YK, Z Dohnalek, BD Kay, and RJ Rousseau. 2009. "Competitive Oxidation and Reduction of Aliphatic Alcohols over (WO3)3 Clusters." Journal of Physical Chemistry C 113(22):9721-9730.
Kuchibhatla SVNT, S Hu, Z Yu, V Shutthanandan, Y Li, P Nachimuthu, W Jiang, S Thevuthasan, CH Henager, Jr, and SK Sundaram. 2009. "Morphology, Orientation Relationship and Stability Analysis of Cu2O nanoclusters on SrTiO3 (100)." Applied Physics Letters 95(5):053111:1-3. doi:10.1063/1.3193530.
Laskin A, JS Smith, and J Laskin. 2009. "Molecular Characterization of Nitrogen Containing Organic Compounds in Biomass Burning Aerosols Using High Resolution Mass Spectrometry." Environmental Science & Technology 43(10):3764-3771. doi:10.1021/es803456n
See Research Highlight.
Li J, and Y Lin. 2009. "Nanomaterials for Sensing and Electrocatalysis." Journal of Nanoscience and Nanotechnology 9(4):2173-2174.
Lin SSY, DH Kim, and SY Ha. 2009. "Metallic phases of cobalt-based catalysts in ethanol steam reforming: The effect of cerium oxide." Applied Catalysis. A, General 355(1-2):69-77.
Marina OA, CA Coyle, EC Thomsen, DJ Edwards, CN Cramer, GW Coffey, and LR Pederson. 2009. SECA Coal-Based Systems Core Research: Anode Reactions in Coal-Derived Fuels. PNNL-18557, Pacific Northwest National Laboratory, Richland, WA.
Mei D, Q Ge, JH Kwak, DH Kim, CM Verrier, J Szanyi, and CHF Peden. 2009. "Characterization of Surface and Bulk Nitrates of γ-Al2O3-Supported Alkaline Earth Oxides using Density Functional Theory." Physical Chemistry Chemical Physics. PCCP 11(18):3380-3389. doi:10.1039/b819347a
Mei D, L Xu, and GA Henkelman. 2009. "Potential Energy Surface of Methanol Decomposition on Cu(110)." Journal of Physical Chemistry C 113(11):4522-4537.
Minato T, Y Sainoo, Y Kim, HS Kato, K Aika, M Kawai, J Zhao, H Petek, T Huang, W He, B Wang, Z Wang, Y Zhao, J Yang, and JG Hou. 2009. "The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl Impurity Defects on Titanium Dioxide (110) Surface." Journal of Chemical Physics 130(12):124502-1 - 124502-11.
Mudiyanselage K, CW Yi, and J Szanyi. 2009. "Oxygen coverage dependence of NO oxidation on Pt(111)." Journal of Physical Chemistry C 113(14):5766-5776.
Murugesan V, SN Kerisit, CM Wang, Z Nie, KM Rosso, Z Yang, GL Graff, J Liu, and JZ Hu. 2009. "Effect of Chemical Lithium Intercalation into Rutile TiO2 Nanorods." Journal of Physical Chemistry C 113(32):14567-14574. doi:10.1021/jp904148z.
Nachimuthu P, YJ Kim, SVNT Kuchibhatla, Z Yu, W Jiang, MH Engelhard, V Shutthanandan, J Szanyi, and S Thevuthasan. 2009. "Growth and characterization of barium oxide nanoclusters on YSZ(111)." Journal of Physical Chemistry C 113(32):14324-14328. doi:10.1021/jp9020068.
Neiner D, AJ Karkamkar, JC Linehan, BW Arey, T Autrey, and SM Kauzlarich. 2009. "Promotion of Hydrogen Release from Ammonia Borane with Mechanically Activated Hexagonal Boron Nitride." Journal of Physical Chemistry C 113(3):1098-1103. doi:10.1021/jp8087385.
Palo DR. 2009. Microchannel Assisted Nanomaterial Deposition Technology for Photovoltaic Material Production, Quarterly Progress Report, April-June 2009 . PNNL-18632, Pacific Northwest National Laboratory, Richland, WA.
Palo DR. 2009. Quarterly Progress Report (1): Microchannel-Assisted Nanomaterial Deposition Technology for Photovoltaic Material Production. PNNL-18262-1, Pacific Northwest National Laboratory, Richland, WA.
Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2009. "Hydrogen dynamics and characterization of the tetragonal-to-orthorhombic phase transformation in ammonia borane." Journal of Physical Chemistry C 113(14):5872-5878.
Paolone A, O Palumbo, P Rispoli, R Cantelli, T Autrey, and AJ Karkamkar. 2009. "Absence of the structural phase transition in ammonia borane dispersed in mesoporous silica: Evidence of novel thermodynamic properties." Journal of Physical Chemistry C 113(24):10319-10321.
Parkinson GS, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of C2Cl6 and C2Cl4 multilayers with Fe0 atoms over FeO(111)." Journal of Physical Chemistry C 113(23):10233-10241.
Parkinson GS, YK Kim, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of Fe0 atoms and clusters with D2O over FeO(111)." Journal of Physical Chemistry C 113(2):4960-4969.
See Research Highlight.
Petrik NG, and GA Kimmel. 2009. "Nonthermal Water Splitting on Rutile TiO2: Electron-Stimulated Production of H 2 and O 2 in Amorphous Solid Water Films on TiO2(110)." Journal of Physical Chemistry C 113(11):4451-4460.
Shi L, SM Chowdhury, HS Smallwood, H Yoon, HM Brewer, AD Norbeck, JE Thomsen EC, GW Coffey, LR Pederson, and OA Marina. 2009. "Performance of Lanthanum Strontium Manganite Electrodes at High Pressure." Journal of Power Sources 191(2):217-224.
Shin Y, JY Kim, JF Bonnett, and KS Weil. 2009. "Controlled deposition of covalently bonded tantalum oxide on carbon supports by solvent evaporation sol-gel process." Surface Science 603(15):2290-2293.
Su Y, HM Brown, X Huang, XD Zhou, JE Amonette, and ZC Zhang. 2009. "Single-Step Conversion of Cellulose to 5-Hydroxymethylfurfural (HMF), a Versatile Platform Chemical," Applied Catalysis A, General, doi:10.1016/j.apcata.2009.04.002.
See Research Highlight.
Trevisanutto PE, PV Sushko, KM Beck, AG Joly, WP Hess, and AL Shluger. 2009. "Excitation, Ionization, and Desorption: How Sub-band-gap Photons Modify the Structure of Oxide Nanoparticles." Journal of Physical Chemistry C 113(4):1274-1279.
Ye S, F Wu, X Ye, and Y Lin. 2009. "Supercritical Fluid Assisted Synthesis and Processing of Carbon Nanotubes." Journal of Nanoscience and Nanotechnology 9(5):2781-2794.
Yi CWW, and J Szanyi. 2009. "BaO/Al2O3/NiAl(110) Model NOx Storage Materials: the effect of BaO film thickness on the amorphous-to-crystalline Ba(NO3)2 phase transition." Journal of Physical Chemistry C 113(2):716-723.
Wang CM, DR Baer, JE Amonette, MH Engelhard, J Antony, and Y Qiang. 2009. "Morphology and Electronic Structure of Oxide Shell on the Surface of Iron Nanoparticles." Journal of the American Chemical Society 131(25):8824-8832.
Wang CM, Z Yang, S Thevuthasan, J Liu, DR Baer, D Choi, D Wang, J Zhang, LV Saraf, and Z Nie. 2009. "Crystal and Electronic Structure of Lithiated Nanosized RutileTiO2 by Electron Diffraction and Electron Energy-loss Spectroscopy." Applied Physics Letters 94:233116-1.
Zarzycki PP, and KM Rosso. 2009. "Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study." Langmuir 25(12):6841-6848.
