Scientists at the Institute for Integrated Catalysis publish their research in a host of peer-reviewed journals.
2012 Publications
Aleksandrov HA, LV Moskaleva, ZJ Zhao, D Basaran, ZX Chen, D Mei, and N Rosch. 2012. "Ethylene conversion to ethylidyne on Pd(111) and Pt(111). A first-principles-based kinetic Monte Carlo study." Journal of Catalysis 285(1):187-195. doi:10.1016/j.jcat.2011.09.035
Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2012. "First-principles characterization of potassium intercalation in the hexagonal 2H-MoS2." Journal of Physical Chemistry C 116(2):1826-1832. doi:10.1021/jp206555b
Cheung SH, A Celik-Aktas, P Dey, K Pande, M Weinert, B Kabius, D Keavney, V Lazarov, SA Chambers, and M Gajdardziska-Josifovska. 2012. "Effects of unreconstructed and reconstructed polar surface terminations on growth, structure, and magnetic properties of hematite films." Physical Review B, Condensed Matter and Materials Physics 85(4):045405. doi:10.1103/PhysRevB.85.045405
Choi YJ, Y Xu, WJ Shaw, and E Ronnebro. 2012. "Hydrogen storage properties of new hydrogen-rich NH3BH3-metal hydride (TiH2, ZrH2, MgH2, and/or CaH2) composite systems." Journal of Physical Chemistry C 116(15):8349-8358.
Davidson JD, RJ Wiacek, SD Burton, XS Li, GE Fryxell, RS Addleman, W Yantasee, T Sangvanich, and K Pattamakomsan. 2012. "Improved deposition and deprotection of silane tethered 3,4 hydroxypyridinone (HOPO) ligands on functionalized nanoporous silica." Inorganic Chemistry Communications 18:92-96. doi:10.1016/j.inoche.2012.01.025
Devarakonda MN, KP Brooks, E Ronnebro, SD Rassat, and JD Holladay. 2012. "Chemical hydrides for hydrogen storage in fuel cell applications." In SAE World Congress and Exhibition, April 24-26, 2012, Detroit, Michigan, SAE Technical Paper 2012-01-1229. SAE International, Warrendale, PA. doi:10.4271/2012-01-1229
Devarakonda MN, DR Herling, DH Kim, JH Kwak, CHF Peden, ML Stewart, A Strzelec, J Szanyi, DN Tran, and JH Lee. 2012. "CLEERS Aftertreatment Modeling and Analysis." Chapter II.B.1 in the DOE Report, Advanced Combustion Engine Research and Development, pp. 176-181.
Devarakonda MN, KP Brooks, E Ronnebro, and SD Rassat. 2012. "Systems modeling, simulation and material operating requirements for chemical hydride based hydrogen storage." International Journal of Hydrogen Energy 37(3):2779-2793. doi:10.1016/j.ijhydene.2011.06.121
Devarakonda MN, RG Tonkyn, and JH Lee. 2012. "Modeling Species Inhibition and Competitive Adsorption in Urea-SCR Catalysts." In SAE World Congress and Exhibition, April 24-26, 2012, Detroit, Michigan, SAE Technical Paper 2012-01-1295. SAE International, Warrendale, PA. doi:10.4271/2012-01-1295
Du Y, NG Petrik, NA Deskins, Z Wang, MA Henderson, GA Kimmel, and I Lyubinetsky. 2012. "Hydrogen Reactivity on Highly-hydroxylated TiO2(110) Surfaces Prepared via Carboxylic Acid Adsorption and Photolysis." Physical Chemistry Chemical Physics. PCCP 14(9):3066-3074. doi:10.1039/C1CP22515D. Research Highlight.
Flaherty DW, NT Hahn, RA May, SP Berglund, YM Lin, KJ Stevenson, Z Dohnalek, BD Kay, and CB Mullins. 2012. "Reactive ballistic deposition of nanostructured model materials for electrochemical energy conversion and storage." Accounts of Chemical Research 45(3):434-443. doi:10.1021/ar200164u
Hardy JS, JW Templeton, DJ Edwards, Z Lu, and JW Stevenson. 2012. "Lattice expansion of LSCF-6428 cathodes measured by in situ XRD during SOFC operation." Journal of Power Sources 198:76-82. doi:10.1016/j.jpowsour.2011.09.099
Hu JZ, JA Sears, Jr, HS Mehta, JJ Ford, JH Kwak, K Zhu, Y Wang, J Liu, DW Hoyt, and CHF Peden. 2012. "A Large Sample Volume Magic Angle Spinning Nuclear Magnetic Resonance Probe for In-Situ Investigations with Constant Flow of Reactants." Physical Chemistry Chemical Physics. PCCP 14(7):2137-2143. doi:10.1039/c1cp22692d
Research Highlight
Kathmann SM, CJ Mundy, GK Schenter, T Autrey, PC Aeberhard, W David, MO Jones, and T Ramirez-Cuesta. 2012. "Understanding vibrational anharmonicity and phonon dispersion in solid ammonia borane." Journal of Physical Chemistry C 116(9):5926-5931. doi:10.1021/jp207540x
Kim DH, KK Mudiyanselage, J Szanyi, H Zhu, JH Kwak, and CHF Peden. 2012. "Characteristics of Pt-K/MgAl2O4 lean NOx trap catalysts." Catalysis Today 184(1):2-7. doi:10.1016/j.cattod.2011.11.024
Kim DH, GG Muntean, CHF Peden, K Howden, N Currier, J Li, R Stafford, A Yezerets, H Chen, and H. Hess. 2012. "Enhanced High Temperature Performance of NOx Storage/Reduction (NSR) Materials." Chapter II.B.2 in the DOE Report, Advanced Combustion Engine Research and Development, pp. 182-187.
Kim DH, JH Kwak, J Szanyi, and CHF Peden. 2012. "Isothermal desulfation of pre-sulfated Pt-BaO/γ-Al2O3 lean NOx trap catalysts with H2: the effect of H2 concentration and the roles of CO2 and H2O."Applied Catalysis B: Environmental 111-112(1):342-348. doi:10.1016/j.apcatb.2011.10.017
Kimmel GA, MD Baer, NG Petrik, J VandeVondele, RJ Rousseau, and CJ Mundy. 2012. "Polarization- and azimuth-resolved infrared spectroscopy of water on TiO2(110): anisotropy and the hydrogen-bonding network." The Journal of Physical Chemistry Letters 3(6):778-784. doi:10.1021/jz3001079
Kumar A, R Devanathan, V Shutthanandan, SVNT Kuchibhatla, AS Karakoti, Y Yang, S Thevuthasan, and S Seal. 2012. "Radiation-induced reduction of ceria in single and polycrystalline thin films." Journal of Physical Chemistry C 116(1):361-366. doi:10.1021/jp209345w
Kwak JH, DH Kim, J Szanyi, SJ Cho, and CHF Peden. 2012. "Enhanced high temperature performance of MgAl2O4-supported Pt-BaO lean NOx trap catalysts." Topics in Catalysis 55(1-2):70-77. doi:10.1007/s11244-012-9779-1
Kwak JH, DN Tran, SD Burton, J Szanyi, JH Lee, and CHF Peden. 2012. "Effects of hydrothermal aging on NH3-SCR reaction over Cu/zeolites." Journal of Catalysis 287(1):203-209. doi:10.1016/j.jcat.2011.12.025
Kwak JH, DN Tran, J Szanyi, CHF Peden, and JH Lee. 2012. "The effect of copper loading on the selective catalytic reduction of nitric oxide by ammonia over Cu-SSZ-13." Catalysis Letters 142(3):295-301. doi:10.1007/s10562-012-0771-y
Kwak JH, H Zhu, JH Lee, CHF Peden, and J Szanyi. 2012. "Two different cationic positions in Cu-SSZ-13? ." Chemical Communications 48(39):4758-4760. doi:10.1039/C2CC31184D
Liu TL, S Chen, MJ O'Hagan, M Rakowski DuBois, RM Bullock, and DL DuBois. 2012. "Synthesis, characterization and reactivity of Fe complexes containing cyclic diazadiphosphine ligands: The role of the pendant base in heterolytic cleavage of H2." Journal of the American Chemical Society 134(14):6257-6272. doi:10.1021/ja211193j
Liu W, JE Holladay, F Zheng, AR Cooper, HM Brown, J Li, and Y Rao. 2012. Catalytic Conversion of Biomass to Fuels and Chemicals Using Ionic Liquids. PNNL-21304, Pacific Northwest National Laboratory, Richland, WA.
Lu Z, JS Hardy, JW Templeton, and JW Stevenson. 2012. "Extended reaction zone of La0.6Sr0.4Co0.2Fe0.8O3 cathode for solid oxide fuel cell." Journal of Power Sources 198:90-94. doi:10.1016/j.jpowsour.2011.09.020
Peden CHF, JH Kwak, SD Burton, RG Tonkyn, DH Kim, JH Lee, HW Jen, G Cavattaio, Y Cheng, and C Lambert. 2012. "Possible origin of improved high temperature performance of hydrothermally aged Cu/beta zeolite catalysts." Catalysis Today 184(1):245-251. doi:10.1016/j.cattod.2011.11.008
Sams RL, SS Xantheas, and TA Blake. 2012. "Vapor phase infrared spectroscopy and ab initio fundamental anharmonic frequencies of ammonia borane." Journal of Physical Chemistry A 116(12):3124-3136. doi:10.1021/jp2115753
Schaef HT, ES Ilton, O Qafoku, PF Martin, AR Felmy, and KM Rosso. 2012. "In situ XRD study of Ca2+ saturated montmorillonite (STX-1) exposed to anhydrous and wet supercritical carbon dioxide." International Journal of Greenhouse Gas Control 6(1):220-229. doi:10.1016/j.ijggc.2011.11.001
Schmieg SJ, SH Oh, CH Kim, DB Brown, JH Lee, CHF Peden, and DH Kim. 2012. "Thermal durability of Cu-CHA NH3-SCR catalysts for diesel NOx reduction." Catalysis Today 184(1):252-261. doi:10.1016/j.cattod.2011.10.034
Seu C, AM Appel, MD Doud, DL DuBois, and C Kubiak. 2012. "Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes." Energy & Environmental Science 5(4):6480-6490. doi:10.1039/c2ee03341k
Smith SE, JY Yang, DL DuBois, and M Bullock. 2012. "Reversible electrocatalytic production and oxidation of hydrogen at low overpotentials by a functional hydrogenase mimic." Angewandte Chemie International Edition 51(13):3152-3155. doi:10.1002/anie.201108461
See the research highlight
Song P, XY Zhang, M Sun, XL Cui, and Y Lin. 2012. "Graphene oxide modified TiO2 nanotube arrays: Enhanced visible light photoelectrochemical properties." Nanoscale 4(5):1800-1804. doi:10.1039/C2NR11938B
Song P, XY Zhang, M Sun, XL Cui, and Y Lin. 2012. "Synthesis of graphene nanosheets via oxalic acid-induced chemical reduction of exfoliated graphite oxide." RSC Advances 2(3):1168-1173. doi:10.1039/C1RA00934F
Sun M, XY Zhang, J Li, XL Cui, and Y Lin. 2012. "Thermal formation of silicon-doped TiO2 thin films with enhanced visible light photoelectrochemical response." Electrochemistry Communications 16(1):26-29. doi:10.1016/j.elecom.2011.12.015
Szanyi J, M Daturi, G Clet, DR Baer, and CHF Peden. 2012. "Well-studied Cu-BTC still serves surprises: Evidence for facile Cu2+/Cu+ interchange." Physical Chemistry Chemical Physics. PCCP 14(13):4383-4390. doi:10.1039/c2cp23708c
See the research highlight
van der Eide EF, TL Liu, DM Camaioni, ED Walter, and RM Bullock. 2012. "Facile thermal W-W Bond homolysis in the N-heterocyclic carbene-containing tungsten dimer [CpW(CO)2(IMe)]2." Organometallics 31(5):1775-1789. doi:10.1021/om201162g
Wanjala BN, B Fang, R Loukrakpam, Y Chen, MH Engelhard, J Luo, J Yin, L Yang, S Shan, and CJ Zhong. 2012. "Role of metal coordination structures in enhancement of electrocatalytic activity of ternary nanoalloys for oxygen reduction reaction." ACS Catalysis 2:795-806. doi:10.1021/cs300080k
Weiss CJ, AN Groves, MT Mock, WG Dougherty, WS Kassel, ML Helm, DL DuBois, and RM Bullock. 2012. "Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines." Dalton Transactions 41(15):4517-4529. doi:10.1039/C2DT12224C
Wiebenga MH, CH Kim, SJ Schmieg, SH Oh, DB Brown, DH Kim, JH Lee, and CHF Peden. 2012. "Deactivation mechanisms of Pt/Pd-based diesel oxidation catalysts." Catalysis Today 184(1):197-204. doi:10.1016/j.cattod.2011.11.014
Wiedner ES, JY Yang, S Chen, S Raugei, WG Dougherty, WS Kassel, ML Helm, RM Bullock, M Rakowski DuBois, and DL DuBois. 2012. "Stabilization of nickel complexes with Ni0•••H-N bonding interactions using sterically demanding cyclic diphosphine ligands." Organometallics 31(1):144-156. doi:10.1021/om200709z
Wiese S, UJ Kilgore, DL DuBois, and RM Bullock. 2012. "[Ni(PMe2NPh2)2](BF4)2 as an electrocatalyst for H2 production." ACS Catalysis 2:720-727. doi:10.1021/cs30001h
Yezerets A, CHF Peden, J Szanyi, I Nova, and B Epling. 2012. "Preface: Special issue on catalytic control of lean-burn engine exhaust emissions." Catalysis Today 184(1):1. doi:10.1016/j.cattod.2012.02.011
See staff accomplishment
Zhu Z, V Shutthanandan, and MH Engelhard. 2012. "An Investigation of Hydrogen Depth Profiling Using ToF-SIMS." Surface and Interface Analysis 44(2):232-237. doi:10.1002/sia.3826
Zhu Z and V Shutthanandan. 2012. "Are cluster ion analysis beams good choices for hydrogen depth profiling using time-of-flight secondary ion mass spectrometry?" Surface and Interface Analysis 44(1):89-93. doi:10.1002/sia.3776
2011 Publications
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
Albrecht KO and RT Hallen. 2011. A Brief Literature Overview of Various Routes to Biorenewable Fuels from Lipids for the National Alliance for Advanced Biofuels and Bio-products (NAABB) Consortium. PNNL-20279, Pacific Northwest National Laboratory, Richland, Washington.
Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2011. "Adsorption of Potassium on the MoS2(100) Surface: A First-Principles Investigation." Journal of Physical Chemistry C 115(18):9025-9040. doi:10.1021/jp110069r
Appel AM, DH Pool, MJ O'Hagan, WJ Shaw, JY Yang, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "[Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1(7):777-785. doi:10.1021/cs2000939
Baer DR. 2011. "Summary of ISO/TC 201 Standard: ISO 29081: 2010, Surface Chemical Analysis- Auger Electron Spectroscopy - Reporting of Methods Used for Charge Control and Charge Correction." Surface and Interface Analysis 43(11):1444-1447. doi:10.1002/sia.3724
Baer DR. 2011. "Surface Characterization of Nanoparticles: Critical Needs and Significant Challenges." Journal of Surface Analysis 17(3):163-169.
Boily JF, SME Chatman, and KM Rosso. 2011. "Inner-Helmholtz Potential Development at the Hematite (Alpha-Fe2O3)(001) Surface." Geochimica et Cosmochimica Acta 75(15):4113-4124.
Bonnet SA, JH Van Lenthe, HJJ van Dam, G van Koten, and RJ Klein Gebbink. 2011. "SO2-Binding Properties of Cationic η6,η1-NCN-Pincer Arene Ruthenium Platinum Complexes: Spectroscopic and Theoretical Studies." Dalton Transactions 40(11):2542-2548. doi:10.1039/C0DT01437K
Bowker RH, MC Smith, M Pease, KM Slenkamp, L Kovarik, and ME Bussell. 2011. "Synthesis and Hydrodeoxygenation Properties of Ruthenium Phosphide Catalysts." ACS Catalysis 1(8):917-922. doi:10.1021/cs200238v
Bowden ME and T Autrey. 2011. "Characterization and Mechanistic Studies of the Dehydrogenation of NHxBHx Materials." Current Opinion in Solid State and Materials Science 15(2):73-79. doi:10.1016/j.cossms.2011.01.005
Brooks KP, MN Devarakonda, SD Rassat, and JD Holladay. 2011. "Systems Modeling of Chemical Hydride Hydrogen Storage Materials for Fuel Cell Applications." Journal of Fuel Cell Science and Technology 8(6): Art. No. 061021. doi:10.1115/1.4004477
Bullock RM. 2011. "A Mercurial Route to a Cobalt Dihydrogen Complex." Angewandte Chemie International Edition 50(18):4050-4052. doi:10.1002/anie.201006731
Bylaska EJ, KL Tsemekhman, SB Baden, JH Weare, and H Jonsson. 2011. "Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange." Journal of Computational Chemistry 32(1):54-69. doi:10.1002/jcc.21598
Cain JP, J Camacho, DJ Phares, H Wang, and A Laskin. 2011. "Evidence of Aliphatics in Nascent Soot Particles in Premixed Ethylene Flames." Proceedings of the Combustion Institute 33(1):533-540. doi:10.1016/j.proci.2010.06.164
Campbell CT, AK Datye, GA Henkelman, RF Lobo, WF Schneider, LD Spicer, WT Tysoe, JM Vohs, DR Baer, DW Hoyt, S Thevuthasan, KT Mueller, CM Wang, NM Washton, I Lyubinetsky, RG Teller, A Andersen, N Govind, K Kowalski, BC Kabius, H Wang, AA Campbell, WA Shelton, EJ Bylaska, CHF Peden, Y Wang, DL King, MA Henderson, RJ Rousseau, J Szanyi, Z Dohnalek, D Mei, BC Garrett, D Ray, JH Futrell, J Laskin, DL DuBois, LR Kuprat, and C Plata. 2011. EMSL and Institute for Integrated Catalysis (IIC) Catalysis Workshop. PNNL-20426, Pacific Northwest National Laboratory, Richland, Washington.
Chambers SA. 2011. "Understanding the Mechanism of Conductivity at the LaAlO3/SrTiO3(001) Interface." Surface Science 605(13-14):1133-1140. doi:10.1016/j.susc.2011.04.011
Chen D, W Hu, F Gao, H Deng, and L Sun. 2011. "Tungsten Cluster Migration on Nanoparticles: Minimum Energy Pathway and Migration Mechanism." The European Physical Journal B 80(1):31-40. doi: 10.1140/epjb/e2011-10629-9
Choi D, J Xiao, YJ Choi, JS Hardy, M Vijayakumar, MS Bhuvaneswari, J Liu, W Xu, W Wang, Z Yang, GL Graff, and J Zhang. 2011. "Thermal Stability and Phase Transformation of Electrochemically Charged/Discharged LiMnPO4 Cathode for Li-Ion Battery." Energy & Environmental Science 4(11):4560-4566. doi:10.1039/C1EE01501J
Chong M, AJ Karkamkar, T Autrey, S Orimo, S Jalisatgi, and CM Jensen. 2011. "Reversible Dehydrogenation of Magnesium Borohydride to Magnesium Triborane in the Solid State Under Moderate Conditions." Chemical Communications 47(4):1330-1332. doi:10.1039/C0CC03461D
Dagle RA, AM Karim, and DL King. 2011. "Fuel Processing for Fuel Cell Applications: "Water Gas Shift" Book Chapter." In: Fuel Processing for Fuel Cell Applications 1:361-408. Elsevier Science, Amsterdam, The Netherlands.
Deskins NA, RJ Rousseau, and M Dupuis. 2011. "Distribution of Ti3+ Surface Sites in Reduced TiO2." Journal of Physical Chemistry C 115(15):7562-7572. doi: 10.1021/jp2001139
Devarakonda MN, KP Brooks, SD Rassat, and E Ronnebro. 2011. "Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage." International Journal of Hydrogen Energy. doi:10.1016/j.ijhydene.2011.06.121
Devarakonda M, R Tonkyn, D Tran, J Lee, and D Herling. 2011. "Modeling Species Inhibition of NO Oxidation in Urea-SCR Catalysts for Diesel Engine NOx Control." Journal of Engineering for Gas Turbines and Power 133(9):092805.
DuBois DL and RM Bullock. 2011. "Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen-The Role of Pendant Amines as Proton Relays." European Journal of Inorganic Chemistry 2011(7):1017-1027. doi:10.1002/ejic.201001081
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Dupuis M, S Chen, S Raugei, DL DuBois, and RM Bullock. 2011. "Comment on 'New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation'." Journal of Physical Chemistry A 115(18):4861-4865. doi:10.1021/jp111479z
Eckert PA, A Laskin, J Laskin, and PJ Roach. 2011. Chemical Characterization of Crude Petroleum Using Nano-DESI Mass Spectrometry. PNNL-20825, Pacific Northwest National Laboratory, Richland, Washington.
Elliott DC. 2011. "Hydrothermal Processing." Chapter 7 in: Thermochemical Processing of Biomass: Conversion into Fuels, Chemicals and Power, Robert C. Brown, Editor, pp. 200-231. Wiley-Blackwell, Oxford, United Kingdom.
Engelhard MH. 2011. X-ray Photoelectron Spectroscopy (XPS) Analyze of TiO2 Coated Silica Fibers. PNNL-20702, Pacific Northwest National Laboratory, Richland, Washington.
Feibelman PJ, GA Kimmel, RS Smith, NG Petrik, T Zubkov, and BD Kay. 2011. "A Unique Vibrational Signature of Rotated Water Monolayers on Pt(111): Predicted and Observed." Journal of Chemical Physics 134(20): Art. No. 204702. doi:10.1063/1.3591966
Galan BR, J Schoffel, JC Linehan, C Seu, AM Appel, JA Roberts, ML Helm, UJ Kilgore, JY Yang, DL DuBois, and C Kubiak. 2011. "Electrocatalytic Oxidation of Formate by [Ni(PR2NR`2)2(CH3CN)]2+ Complexes." Journal of the American Chemical Society 133(32):12767-12779. doi:10.1021/ja204489e
Ginovska B, DM Camaioni, and M Dupuis. 2011. "About the Barriers to Reaction of CCl4 with HFeOH and FeCl2." Journal of Physical Chemistry A 115(31):8713-8720. doi:10.1021/jp2019928
Golovich EC, DM Wellman, CC Bovaird, JR Cort, JA Campbell, and DS Sklarew. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Cumulative Report. PNWD-4287, Battelle-Pacific Northwest Division, Richland, Washington.
Golovich EC, DM Wellman, CC Bovaird, DS Sklarew, and JA Campbell. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Quarterly Report. PNWD-4288, Battelle-Pacific Northwest Division, Richland, Washington.
Golovich EC, DM Wellman, JA Campbell, CC Bovaird, and DS Sklarew. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Quarterly Report. PNWD-4307, Battelle-Pacific Northwest Division, Richland, Washington.
Govind N, KA Lopata, RJ Rousseau, A Andersen, and K Kowalski. 2011. "Visible Light Absorption of N-Doped TiO2 Rutile Using (LR/RT)-TDDFT and Active Space EOMCCSD Calculations." The Journal of Physical Chemistry Letters 2(21):2696-2701. doi:10.1021/jz201118r
Harvey SD, AD Eckberg, and PK Thallapally. 2011. "Evaluation of Copper-1,3,5-benzenetricarboxylate Metal-organic Framework (Cu-MOF) as a Selective Sorbent for Lewis-Base Analytes." Journal of Separation Science doi:10.1002/jssc.201100317
Helm ML, MP Stewart, II, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "A Synthetic Nickel Electrocatalyst With a Turnover Frequency Above 100,000 s-1 for H2 Production." Science 333(6044):863-866. doi:10.1126/science.1205864
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Henderson MA. 2011. "Surface Chemistry of Trimethyl Phosphate on α-Fe2O3." Journal of Physical Chemistry C 115(47):23527-23534. doi:10.1021/jp208978d
Henderson MA and KM Rosso. 2011. "Oxidation of H2S by Coadsorbed Oxygen on the α-Cr2O3(0001) Surface." Surface Science 605(5-6):555-563. doi:10.1016/j.susc.2010.12.016
Henderson MA, NA Deskins, RT Zehr, and M Dupuis. 2011. "Generation of Organic Radicals During Photocatalytic Reactions on TiO2." Journal of Catalysis 279(1):205-212. doi:10.1016/j.jcat.2011.01.021
Hoyt DW, RVF Turcu, JA Sears, Jr, KM Rosso, SD Burton, AR Felmy, and JZ Hu. 2011. "High-pressure Magic Angle Spinning Nuclear Magnetic Resonance." Journal of Magnetic Resonance 212(2):378-385. doi:10.1016/j.jmr.2011.07.019
Ilton ES and PS Bagus. 2011. "XPS Determination of Uranium Oxidations States." Surface and Interface Analysis 43(13):1549-1560. doi:10.1002/sia.3836
See
Research Highlight
Iqbal G, H Guo, BS Kang , and OA Marina. 2011. "Durability Prediction of Solid Oxide Fuel Cell Anode Material under Thermo-Mechanical and Fuel Gas Contaminants Effects." International Journal of Applied Ceramic Technology 8(1):13-22. doi:10.1111/j.1744-7402.2009.02415.x
Johnson GE, CM Wang, TA Priest, and J Laskin. 2011. "Monodisperse Au11 Clusters Prepared by Soft Landing of Mass Selected Ions." Analytical Chemistry 83(21):8069-8072. doi:10.1021/ac202520p
Johnson GE, Q Hu, and J Laskin. 2011. "Soft Landing of Complex Molecules on Surfaces." Annual Review of Analytical Chemistry 4(1):83-104. doi:10.1146/annurev-anchem-061010-114028
Kerisit SN. 2011. "Water Structure at Hematite-Water Interfaces." Geochimica et Cosmochimica Acta 75(8):2043-2061. doi:10.1016/j.gca.2011.01.026
Kilgore UJ, MP Stewart, II, ML Helm, WG Dougherty, WS Kassel, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand." Inorganic Chemistry 50(21):10908-10918. doi:10.1021/ic201461a
Kim H, KE Jeong, SY Jeong, YK Park, DH Kim, and JK Jeon. 2011. "Utilization of a By-product Produced from Oxidative Desulfurization Process over Cs-Mesoporous Silica Catalysts." Journal of Nanoscience and Nanotechnology 11(2):1706-1709. doi:10.1166/jnn.2011.3333
Kim DH, JH Lee, CHF Peden, K Howden, CH Kim, SH Oh, SJ Schmieg, and MH Wiebenga. 2011. Final Report of a CRADA between Pacific Northwest National Laboratory and the General Motors Company (CRADA No. PNNL/271): "Degradation Mechanisms of Urea Selective Catalytic Reduction Technology." PNNL-20998, Pacific Northwest National Laboratory, Richland, WA.
Kilgore UJ, JA Roberts, DH Pool, AM Appel, MP Stewart, II, M Rakowski DuBois, WG Dougherty, WS Kassel, RM Bullock, and DL DuBois. 2011. "[Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates." Journal of the American Chemical Society 133(15):5861-587. doi:10.1021/ja109755f
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Kim H, KE Jeong, SY Jeong, YK Park, DH Kim, and JK Jeon. 2011. "Utilization of a By-product Produced from Oxidative Desulfurization Process over Cs-Mesoporous Silica Catalysts." Journal of Nanoscience and Nanotechnology 11(2):1706-1709. doi:10.1166/jnn.2011.3333
Kim JY, T Oh, Y Shin, JF Bonnett, and KS Weil. 2011. "A Novel Non-Platinum Group Electrocatalyst for PEM Fuel Cell Application." International Journal of Hydrogen Energy 36(7):4557-4564.
Koch R, AS Lipton, S Filipek, and VM Renugopalakrishnan. 2011. "Arginine Interactions with Anatase TiO2 (100) Surface and the Perturbation of 49Ti NMR Chemical Shifts - A DFT Investigation: Relevance to Renu-Seeram Bio Solar Cell." Journal of Molecular Modeling 17(6):1467-1472. doi:10.1007/s00894-010-0853-y
Kou R, Y Shao, D Mei, Z Nie, D Wang, C Wang, VV Viswanathan, S Park, I A Aksay, Y Lin, Y Wang and J Liu. 2011. "Stabilization of Electrocatalytic Material Nanoparticles at Metal-Metal Oxide-Graphene Triple Junction Points." Journal of the American Chemical Society 133(8):2541-2547. doi:10.1021/ja107719
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Kwak JH, CHF Peden, and J Szanyi. 2011. "Using a Surface-sensitive Chemical Probe and a Bulk Structure Technique to Monitor the γ- to θ-Al2O3 Phase Transformation." Journal of Physical Chemistry C 115(25):12575-12579. doi:10.1021/jp203541a
Kwak JH, D Mei, CHF Peden, RJ Rousseau, and J Szanyi. 2011. "(100) Facets of γ-Al2O3: The Active Surfaces for Alcohol Dehydration Reactions." Catalysis Letters 141(5):649-655. doi:10.1007/s10562-010-0496-8
Lea AS, BC Kabius, BW Arey, L Kovarik, CM Wang, G Orr, I Lyubinetsky, and RR Carper. 2011. "Quietly Building Capabilities: New Instruments, Expertise, 'Quiet Wing' Available at DOE User Facility." Microscopy Today 19(5):48-53. doi:10.1017/S1551929511000964
Lebarbier VMC, D Mei, DH Kim, A Andersen, JL Male, JE Holladay, RJ Rousseau, and Y Wang. 2011. "Effects of La2O3 on the Mixed Higher Alcohols Synthesis from Syngas over Co Catalysts: A Combined Theoretical and Experimental Study." Journal of Physical Chemistry C 115(35):17440-17451. doi:10.1021/jp204003q
Li Z, Z Zhang, BD Kay, and Z Dohnalek. 2011. "Polymerization of Formaldehyde and Acetaldehyde on Ordered (WO3)3 Films on Pt(111)." Journal of Physical Chemistry C 115(19):9692-9700. doi:10.1021/jp202169x
Li X, Y Cao, WN Qi, LV Saraf, J Xiao, Z Nie, J Mietek, J Zhang, B Schwenzer, and J Liu. 2011. "Optimization of Mesoporous Carbon Structures for Lithium-Sulfur Battery Applications." Journal of Materials Chemistry 21(41):16603-16610. doi:10.1039/C1JM12979A
Li Z, Z Zhang, YK Kim, RS Smith, F Netzer, BD Kay, RJ Rousseau, and Z Dohnalek. 2011. "Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)." Journal of Physical Chemistry C 115(13):5773-5783. doi:10.1021/jp1108976
Li Z, Y Wang, D Du, Z Tang, J Wang, and Y Lin. 2011. "Functionalization of Graphene and Graphene Oxide for Biosensing and Imaging ." In 2011 11th IEEE International Conference on Nanotechnology, pp. 612-616. Institute of Electrical and Electronics Engineers, New York.
Ling S, D Mei, and MS Gutowski. 2011. "Reactivity of Hydrogen and Methanol on (001) Surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3." Catalysis Today 165(1):41-48. doi:10.1016/j.cattod.2011.01.017
Liu W, J Zhang, NL Canfield, and LV Saraf. 2011. "Preparation of Robust, Thin Zeolite Membrane Sheet for Molecular Separation." Journal of Industrial & Engineering Chemistry 50(20):11677-11689. doi:10.1021/ie200519b
Liu W, Y Rao, H Wan, AJ Karkamkar, J Liu, and LQ Wang. 2011. "Bubbling Reactor Technology for Rapid Synthesis of Uniform, Small MFI-Type Zeolite Crystals." Industrial and Engineering Chemistry Research 50(12):7241-7250. doi:10.1021/ie102069z
Mangham AN, N Govind, ME Bowden, V Shutthanandan, AG Joly, MA Henderson, and SA Chambers. 2011. "Photochemical Properties, Composition, and Structure in Molecular Beam Epitaxy Grown Fe "Doped" and (Fe,N) Codoped Rutile TiO2(110)." Journal of Physical Chemistry C 115(31):15416-15424. doi:10.1021/jp203061n
Manke KL, KS Lang, and KB Pakizer. 2011. "Saving the Sun for a Rainy Day." PNNL-SA-77044, Pacific Northwest National Laboratory, Richland, Washington [Video].
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Marina OA, CA Coyle, MH Engelhard, and LR Pederson. 2011. "Mitigation of Sulfur Poisoning of Ni/Zirconia SOFC Anodes by Antimony and Tin." Journal of the Electrochemical Society 158(4):B424-B429. Permalink: http://dx.doi.org/10.1149/1.3552357
Marina OA, LR Pederson, CA Coyle, EC Thomsen, and DJ Edwards. 2011. "Polarization-Induced Interfacial Reactions between Nickel and Selenium in Ni/Zirconia SOFC Anodes and Comparison with Sulfur Poisoning." Journal of the Electrochemical Society 158(1):b36-b43. Permalink: http://dx.doi.org/10.1149/1.3505936
Mei D and G Lin. 2011. "Effects of Heat and Mass Transfer on the Kinetics of CO Oxidation over RuO2(110) Catalyst." Catalysis Today 165(1):56-63. doi:10.1016/j.cattod.2010.11.041
Mei D, AM Karim, and Y Wang. 2011. "Density Functional Theory Study of Acetaldehyde Hydrodeoxygenation on MoO3." Journal of Physical Chemistry C 115(16):8155-8164. doi:10.1021/jp200011j
Mock MT, RG Potter, MJ O'Hagan, DM Camaioni, WG Dougherty, WS Kassel, and DL DuBois.2011."Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds." Inorganic Chemistry 50(23):11914-11928. doi:10.1021/ic200857x
Mock MT, S Chen, RJ Rousseau, WG Dougherty, WS Kassel, DL DuBois, RM Bullock, and MJ O'Hagan. 2011. "A Rare Terminal Dinitrogen Complex of Chromium." Chemical Communications 47(44):12212-12214. doi:10.1039/C1CC15430C
Motkuri RK, PK Thallapally, SK Nune, CA Fernandez, BP McGrail, and JL Atwood. 2011. "Role of Hydrocarbons in Pore Expansion and Contraction of a Flexible Metal-organic Framework." Chemical Communications 47(25):7077-7079. doi:10.1039/c1cc11738f
Mudiyanselage K, CW Yi, and J Szanyi. 2011. "Reactions of NO2 with BaO/Pt(111) Model Catalysts: The Effects of BaO Film Thickness and NO2 Pressure on the Formation of Ba(NOx)2 Species." Physical Chemistry Chemical Physics. PCCP 13(23):11016-11026.
Oh TK, JY Kim, Y Shin, MH Engelhard, and KS Weil. 2011. "Effects of Tungsten Oxide Addition on the Electrochemical Performance of Nanoscale Tantalum Oxide-Based Electrocatalysts for Proton Exchange Membrane PEM Fuel Cells." Journal of Power Sources 196(15):6099-6103. doi:10.1016/j.jpowsour.2011.03.058
O'Hagan MJ, WJ Shaw, S Raugei, S Chen, JY Yang, UJ Kilgore, DL DuBois, and RM Bullock. 2011. "Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen." Journal of the American Chemical Society 133(36):14301-14312. doi:10.1021/ja201838x
Pan Y, D Mei, C Liu, and Q Ge. 2011. "Hydrogen Adsorption on Ga2O3 Surface: A Combined Experimental and Computational Study." Journal of Physical Chemistry C 115(20):10140-10146. doi:10.1021/jp2014226
Park SK, Y Shao, R Kou, VV Viswanathan, SA Towne, PC Rieke, J Liu, Y Lin, and Y Wang. 2011. "Polarization Losses under Accelerated Stress Test Using Multiwalled Carbon Nanotube Supported Pt Catalyst in PEM Fuel Cells." Journal of the Electrochemical Society 158(3):B297-B302. doi:10.1149/1.3530843
Park SK, Y Shao, H Wan, PC Rieke, VV Viswanathan, SA Towne, LV Saraf, J Liu, Y Lin, and Y Wang. 2011. "Design of Graphene Sheets-supported Pt Catalyst Layer in PEM Fuel Cells." Electrochemistry Communications 13(3):258-261. doi:10.1016/j.elecom.2010.12.028
Peng WP, GE Johnson, IC Fortmeyer, P Wang, O Hadjar, RG Cooks, and J Laskin. 2011. "Redox Chemistry in Thin Layers of Organometallic Complexes Prepared Using Ion Soft Landing." Physical Chemistry Chemical Physics. PCCP 13(1):267-275. doi:10.1039/C0CP01457E
Petrik NG, and GA Kimmel. 2011. "Oxygen Photochemistry on TiO2(110): Recyclable, Photoactive Oxygen Produced by Annealing Adsorbed O2." The Journal of Physical Chemistry Letters 2(21):2790-2796. doi:10.1021/jz201225c
Petrik NG, and GA Kimmel. 2011. "Electron- and Hole-Mediated Reactions in UV - Irradiated O2 Adsorbed on Reduced Rutile TiO2(110)." Journal of Physical Chemistry C 115(1):152-164. doi:10.1021/jp108909p
Recknagle KP, EM Ryan, and MA Khaleel. 2011. A Distributed Electrochemistry Modeling Tool for Simulating SOFC Performance and Degradation. PNNL-20555, Pacific Northwest National Laboratory, Richland, Washington.
Recknagle KP, EM Ryan, and MA Khaleel. 2011. "Numerical Modeling of the Distributed Electrochemistry and Performance of Solid Oxide Fuel Cells." In: ASME 2011 International Mechanical Engineering Congress & Exposition. ASME 2011 International Mechanical Engineering Congress & Exposition, November 11-17, Denver, Colorado.
Roberts JA, DL DuBois, and RM Bullock. 2011. "Experimental and Digital Modeling Studies of the Electrochemical Oxidation of the Metal Anion [CpW(CO)2(IMes)]- and the 17-Electron Metal Radical CpW(CO)2(IMes)•. Kinetics and Thermodynamics of Capture and Release of MeCN by a Metal Radical and a Metal Cation." Organometallics 30(17):4555-4563. doi:10.1021/om2002816
Roberts JA, AM Appel, DL DuBois, and RM Bullock. 2011. "Comprehensive Thermochemistry of W-H Bonding in the Metal Hydrides CpW(CO)2(IMes)H, [CpW(CO)2(IMes)H]•+, and [CpW(CO)2(IMes)(H)2]+. Influence of an N-Heterocyclic Carbene Ligand on Metal Hydride Bond Energies." Journal of the American Chemical Society 133(37):14604-14613. doi:10.1021/ja202830w
Roberts JA, JA Franz, EF van der Eide, ED Walter, JL Petersen, DL DuBois, and RM Bullock. 2011. "Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand to Give the Isolable 17-Electron Tungsten Radical, CpW(CO)2(IMes)•." Journal of the American Chemical Society 133(37):14593-14603. doi:10.1021/ja202754e
Ronnebro E. 2011. "Development of Group II Borohydrides as Hydrogen Storage Materials." Current Opinion in Solid State and Materials Science 15(2):44-51. doi:10.1016/j.cossms.2010.10.003
Sanghavi RP, R Devanathan, MI Nandasiri, SVNT Kuchibhatla, L Kovarik, S Thevuthasan, and S Prasad. 2011. "Integrated Experimental and Modeling Study of the Ionic Conductivity of Samaria-Doped Ceria Thin Films." Solid State Ionics 204-205:13-19. doi:10.1016/j.ssi.2011.10.007>
Shen M and MA Henderson. 2011. "Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2." The Journal of Physical Chemistry Letters 2(21):2707-2710. doi:10.1021/jz201242k
Shen M and MA Henderson. 2011. "Impact of Solvent on Photocatalytic Mechanisms: Reactions of Photodesorption Products with Ice Overlayers on the TiO2(110) Surface." Journal of Physical Chemistry C 115(13):5886-5893.
Shen M and MA Henderson. 2011. "Site Competition During Coadsorption of Acetone with Methanol and Water on TiO2(110)." Langmuir 27(15):9430-9438. doi:10.1021/la2016726
Shuai D, CM Wang, A Genc, and CJ Werth. 2011. "A New Geometric Method Based on Two-Dimensional Transmission Electron Microscopy for Analysis of Interior Versus Exterior Pd Loading on Hollow Carbon Nanofibers." The Journal of Physical Chemistry Letters 2(9):1082-1087. doi:10.1021/jz2003815
Smith SJ, AH Mizrahi, JF Karas, and M Nathan. 2011. US Renewable Futures in the GCAM. PNNL-20823, Pacific Northwest National Laboratory, Richland, Washington.
Song KC, JY Baek, JA Bae, JH Yim, YS Ko, DH Kim, YK Park, and JK Jeon. 2011. "Octene Hydroformylation by using Rhodium Complexes Tethered onto Selectively Functionalized Mesoporous Silica and In-Situ High Pressure IR Study." Catalysis Today 164(1):561-565. doi:10.1016/j.cattod.2010.10.065
Stewart ML and A Zelenyuk. 2011. Fuel-Neutral Studies of PM Transportation Emissions. PNNL-20949, Pacific Northwest National Laboratory, Richland, Washington.
Strohm JJ and JE Holladay. 2011. "Hydropyrolysis Catalyst Development - A Lab-Industry Partnership." PNNL-SA-79974 Pacific Northwest National Laboratory, Richland, Washington.
Sun J, K Zhu, F Gao, CM Wang, J Liu, CHF Peden, and Y Wang. 2011. "Direct Conversion of Bio-ethanol to Isobutene on Nanosized ZnxZryOz Mixed Oxides with Balanced Acid-Base Sites." Journal of the American Chemical Society 133(29):11096-11099. doi:10.1021/ja204235v
Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Computational Study of Hydrocarbon Adsorption in Metal-organic Framework Ni2(dhtp)." Journal of Physical Chemistry B 115(12):2842-2849. doi:10.1021/jp1115299
Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Molecular Mechanism of Hydrocarbons Binding to the Metal-Organic Framework." Chemical Physics Letters 501(4-6):455-460. doi:10.1016/j.cplett.2010.11.070
Techane SD, DR Baer, and DG Castner. 2011. "Simulation and Modeling of Self-Assembled Monolayers of Carboxylic Acid Thiols on Flat and Nanoparticle Gold Surfaces." Analytical Chemistry. 83(17):6704-6712. doi:10.1021/ac201175a
Teklemichael ST, WMH Oo, MC Matthew, ED Walter, and DW Hoyt. 2011. "Acceptors in ZnO Nanocrystals." Applied Physics Letters 98(23): Art. No. 232112. doi:10.1063/1.3598411
Templeton JW, JW Stevenson, Z Lu, and JS Hardy. 2011. Effect of A-site Non-Stoichiometry on LSCF Cathodes. PNNL-20902, Pacific Northwest National Laboratory, Richland, WA.
Tian J, PK Thallapally, J Liu, GJ Exarhos, and JL Atwood. 2011. "Gas-Induced Solid State Transformation of an Organic Lattice: From Nonporous to Nanoporous." Chemical Communications 47(2):701-703. doi:10.1039/C0CC04260A
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Vemuri VRSR, M Noor-A-Alam, SK Gullapalli, MH Engelhard, and CV Ramana.2011. "Nitrogen-Incorporation Induced Changes in the Microstructure of Nanocrystalline WO3 Thin Films." Thin Solid Films 520(5):1446-1450. doi:10.1016/j.tsf.2011.08.080
Wagner M, S Surnev, M Ramsey, G Barcaro, L Sementa, FR Negreiros, A Fortunelli, Z Dohnalek, and FP Netzer. 2011. "Structure and Bonding of Tungsten Oxide Clusters on Nanostructured Cu-O Surfaces." Journal of Physical Chemistry C 115(47):23480-23487. doi:10.1021/jp208207e
Wang CM, TC Kaspar, V Shutthanandan, AG Joly, and RJ Kurtz. 2011. "Structure of Cr Film Epitaxially Grown on MgO (001)." Acta Materialia 59(11):4274-4282. doi:10.1016/j.actamat.2011.03.051
Wang W, S Kim, J Zhang, B Chen, Z Nie, G Xia, L Li, and Z Yang. 2011. "A New Redox Flow Battery Using Fe/V Redox Couples in Chloride Supporting Electrolyte." Energy & Environmental Science doi:10.1039/C0EE00765J
Wanjala BN, B Fang, J Luo, Y Chen, J Yin, MH Engelhard, R Loukrakpam, and CJ Zhong. 2011. "Correlation between Atomic Coordination Structure and Enhanced Electrocatalytic Activity for Trimetallic Alloy Catalysts." Journal of the American Chemical Society 133(32):12714-12727. doi:10.1021/ja2040464
Wellman DM, EC Golovich, CC Bovaird, JA Campbell, JR Cort, DNC Dage, and DS Sklarew. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Year-End Report. PNWD-4311, Battelle-Pacific Northwest Division, Richland, Washington.
Wigmosta MS, AM Coleman, R Skaggs, MH Huesemann, and LJ Lane. 2011. "National Microalgae Biofuel Production Potential and Resource Demand." Water Resources Research 47: Art. No. W00H04. doi:10.1029/2010WR009966
Windisch CF, Jr, CH Henager, MH Engelhard, and WD Bennett. 2011. "Combining Raman Microprobe and XPS to Study High Temperature Oxidation of Metals." ECS Transactions 33(35):21-29. doi:10.1149/1.3577750
Xiao J, D Mei, X Li, W Xu, D Wang, GL Graff, WD Bennett, Z Nie, LV Saraf, IA Aksay, J Liu, and J Zhang. 2011. "Hierarchically Porous Graphene as a Lithium-Air Battery Electrode." Nano Letters 11(11):5071-5078. doi:10.1021/nl203332e
Xiao J, X Wang, XQ Yang, S Xun, G Liu, PK Koech, J Liu, and JP Lemmon. 2011. "Electrochemically Induced High Capacity Displacement Reaction of PEO/MoS2/Graphene Nanocomposites with Lithium." Advanced Functional Materials 21(15):2840-2846. doi:10.1002/adfm.201002752
Xiao J, N Chernova, S Upreti, X Chen, Z Li, Z Deng, D Choi, W Xu, Z Nie, GL Graff, J Liu, MS Whittingham, and J Zhang. 2011. "Electrochemical Performances of LiMnPO4 Synthesized from Non-Stoichiometric Li/Mn Ratio." Physical Chemistry Chemical Physics 13(40):18099-18106. doi:10.1039/C1CP22658D
Xu W, K Xu, VV Viswanathan, SA Towne, JS Hardy, J Xiao, Z Nie, D Hu, D Wang, and J Zhang. 2011. "Reaction Mechanisms for the Limited Reversibility of Li-O2 Chemistry in Organic Carbonate Electrolytes." Journal of Power Sources 196(22):9631-9639. doi:10.1016/j.jpowsour.2011.06.099
Yang JY, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "Fast and Efficient Molecular Electrocatalysts for H2 Production: Using Hydrogenase Enzymes as Guides." MRS Bulletin 36(1):39-47. doi:10.1557/mrs.2010.8
Yang L, R Taylor, WA De Jong, and WL Hase. 2011. "A Model DMMP/TiO2(110) Intermolecular Potential Energy Function Developed from Ab Initio Calculations." Journal of Physical Chemistry C 115(25):12403-12413. doi: 10.1021/jp1112137
Yi XY, HC Fang, ZG Gu, ZY Zhou, YP Cai, J Tian, and PK Thallapally. 2011. "Metal-Organic Frameworks with Achiral/Monochiral Nano-channels." Crystal Growth & Design 11(7):2824-2828. doi:10.1021/cg101618n
Yoon KJ, CA Coyle, and OA Marina. 2011. "Doped Yttrium Chromite-Ceria Composite as a Redox-Stable and Sulfur-Tolerant Anode for Solid Oxide Fuel Cells." Electrochemistry Communications 13(12):1400-1403. doi:10.1016/j.elecom.2011.08.025
Yoon KJ, JW Stevenson, and OA Marina. 2011. "Effect of Nickel Substitution on Defect Chemistry, Electrical Properties, and Dimensional Stability of Calcium-Doped Yttrium Chromite." Solid State Ionics 193(1):60-65. doi:10.1016/j.ssi.2011.04.008
Yoon KJ, JW Stevenson, and OA Marina. 2011. "High Performance Ceramic Interconnect Material for Solid Oxide Fuel Cells (SOFCs): Ca- and Transition Metal-doped Yttrium Chromite." Journal of Power Sources 196(20):8531-8538. doi:10.1016/j.jpowsour.2011.06.089
Yu J, KM Rosso, J Zhang, and J Liu. 2011. "Ab Initio Study of Lithium Transition Metal Fluorophosphate Cathodes for Rechargeable Batteries." Journal of Materials Chemistry 21(32):12054-12058. doi:10.1039/C1JM10900F
Zarzycki PP, SN Kerisit, and KM Rosso. 2011. "Computational Methods for Intramolecular Electron Transfer in a Ferrous-Ferric Iron Complex." Journal of Colloid and Interface Science 361(1):293-306. doi:10.1016/j.jcis.2011.05.070
Zhang S, Y Shao, Y Gao, G Chen, Y Lin, and G Yin. 2011. "In Situ Ion Exchange Preparation of Pt/Carbon Nanotubes Electrode: Effect of Two-Step Oxidation of Carbon Nanotubes." Journal of Power Sources 196(23):9955-9960. doi:10.1016/j.jpowsour.2011.08.087
Zhang S, Y Shao, H Liao, MH Engelhard, G Yin, and Y Lin. 2011. "Polyelectrolyte-Induced Reduction of Exfoliated Graphite Oxide: A Facile Route to Synthesis of Soluble Graphene Nanosheets." ACS Nano 5(3):1785-1791. doi:10.1021/nn102467s
Zhang S, Y Shao, H Liao, J Liu, IA Aksay, G Yin, and Y Lin. 2011. "Graphene Decorated with PtAu Alloy Nanoparticles: Facile Synthesis and Promising Application for Formic Acid Oxidation." Chemistry of Materials 23(5):1079-1081.
Zhao Y, Y Yang, CA Mims, CHF Peden, J Li, and D Mei. 2011. "Insight into Methanol Synthesis from CO2 Hydrogenation on Cu(111): Complex Reaction Network and the Effects of H2O." Journal of Catalysis 281(2):199-211. doi:10.1016/j.jcat.2011.04.012
Zhu K, J Sun, J Liu, LQ Wang, H Wan, JZ Hu, Y Wang, CHF Peden, and Z Nie. 2011. "Solvent Evaporation Assisted Preparation of Oriented Nanocrystalline Mesoporous MFI Zeolites." ACS Catalysis 1(7):682-690. doi:10.1021/cs200085e