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1. Hydrocarbon Conversion Catalysis on Ceria-based Mixed Metal Oxides

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2. OZONE TRANSPORT AND UPTAKE IN ANATOMICALLY-ACCURATE MODELS OF THE RESPIRATORY TRACT

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3. UNDERSTANDING OF CATALYST DEACTIVATION CAUSED BY SULFUR POISONING AND CARBON DEPOSITION IN STEAM REFORMING OF LIQUID HYDROCARBON FUELS

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4. BOROHYDRIDE OXIDATION OVER THE AU(111) AND PT(111) SURFACES: A FIRST PRINCIPLES STUDY OF THE REACTION MECHANISM

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6. ELECTROCHEMICAL RESEARCH IN CHEMICAL HYDROGEN STORAGE MATERIALS: SODIUM BOROHYDRIDE AND ORGANOTIN HYDRIDES

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7. FABRICATION AND PURIFICATION OF SELF-MOTILE NOBLE METAL-SEMICONDUCTOR ACTIVE COLLOIDAL DEVICES

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8. Ab initio study of surface chemistry for fuel processing: adsorptive desulfurization and carbon resistant steam reforming

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9. Kinetics of Oxygen-enhanced Water Gas Shift on Bimetallic Catalysts and the Roles of Metals and Support

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10. Segmental dynamics and ion association in poly(ethylene oxide) based single ion conductors

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12. Molecular Dynamics Simulations of Aggregation of Anatase (Titanium Dioxide) Nanocrystals

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15. A unified approach to understanding conductivity enhancement in nanoparticle-filled solid polymer electrolytes for lithium-ion batteries

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16. DROP DEFORMATION AND BREAKUP IN CONFINED FLOWS OF VISCOELASTIC TWO-PHASE SYSTEMS

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17. Designing Ion-containing polymers for facile ion transport

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18. DEVELOPMENT AND CHARACTERIZATION OF MEMBRANE ELECTRODE ASSMEBLY OF DIRECT METHANOL FUEL CELLS USING HYDROCARBON MEMBRANES AND SUPPORTED CATALYSTS

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19. PREDICTION AND CONTROL OF ATOMIC SELF ASSEMBLY IN Al(110) HOMOEPITAXY

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20. Development of Solid Oxide Fuel Cells Utilizing Alternative Fuels

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21. Development of novel cathode materials and optimization of electrode performance towards scaling-up applications of microbial fuel cells

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22. Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst

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23. Modeling Gas Purge and Three-phase Transients in a Polymer Electrolyte Fuel Cell

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24. A molecular look at Peo-based ionomers

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25. Atomistic Modeling Of The Cathode/electrolyte Interface In Proton Exchange Membrane Fuel Cells

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26. Adsorptive Desulfurization of Diesel Fuel over TiO2-CeO2 mixed Oxides-based Adsorbents

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27. Understanding thermodynamics and kinetics of organometallic complexes for tailoring analogous immobilized metal catalysts

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29. Transport Studies in Polymer Electrolyte Fuel Cells With Porous Metallic Flow Field at Ultra-high Current Density

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30. Sulfur tolerance enhancement of steam reforming by binary metal catalysts

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31. Charge Transport through Inhomogeneous Polymeric Materials

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32. Purification and Production of Pegylated Proteins using Membrane Processes

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33. Low-temperature Operation of Li-ion Batteries for Hybrid and Electric Vehicles

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34. Heterogeneous Catalysis at the Single-molecule Level: A Quantitative Understanding of the Catalytic Activity of Individual Gold Nanoparticles and its Associated Dynamics

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35. Electron Transfer Kinetics in Water-splitting Dye-sensitized Photoelectrochemical Cells

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36. Tuning Filler Shape, Surface Chemistry and Ion Content in Nano-filled Polymer Electrolytes.

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37. Cleanup of Biomass Gasification Effluent Using M-doped Ceria Catalysts

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38. Improved Molecular Collision Models for Nonequilibrium Rarefied Gases

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39. Novel Ti based mixed metal oxide systems for adsorptive desulfurization: A combined ab initio and experimental study

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41. computationally-guided design of conjugated block copolymers for solar cells

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42. Optimization of Ionic Conduction in Ion-containing Polymers for Li-ion Batteries

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43. Development and Application of the ReaxFF Potential for Heterogeneous Catalysis and Metal Oxidation: Toward the Dynamic Sampling of Large Free Energy Surface

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44. Purification of plasmid DNA using membrane-based processes

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45. Examining and Controlling the Morphology of the Photoactive Layer of Organic Photovoltaic Devices

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46. Electrochemical Degradation, Kinetics & Performance Studies Of Solid Oxide Fuel Cells

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47. Design of functional layered oxide materials through understanding structure-property relationships

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48. Conductivity, Morphology, and Dynamics of Single-Ion Conducting Random and Block Copolymers

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49. Development of Multi-scale Computational Methods for Modeling Phase Formation in Pd-Based Catalysts

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50. Nickel-zinc Intermetallic Catalysts for Acetylene Semi-hydrogenation and X-ray Absorption Spectroscopy Techniques for Catalyst Characterization

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51. Water hydrogen bonding in proton exchange and neutral polymer membranes

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52. Thermodynamics and Kinetics of the CuCl(aq)/HCl(aq) Electrolyzer for Hydrogen Production

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53. Palladium-Copper Bimetallic Catalysts for Selective Carbon Dioxide Hydrogenation to Methanol

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54. Synthetic Methods Based on Organophosphorus Redox Cycling

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55. Role of Interfacial, Static and Dynamic Disorder on High Performance Organic Field-effect Transistors

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56. Pathway Towards High Performance Organic Photovoltaics: Contact Doping and Morphology Control

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57. Multi-scale Atomistic Modeling for Electrocatalytic Applications

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58. Applications of the ReaxFF reactive force field towards chemomechanical and electrocatalytic systems

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59. Modeling Pt and Catalyst Layer Degradation in Polymer Electrolyte Fuel Cells

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60. STRUCTURE AND DYNAMICS OF SOFT MATERIALS FOR FLEXIBLE ELECTRONICS AND LITHIUM ION BATTERY

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61. MODULATING ION AGGREGATION AND MOBILITY IN IONOMERS

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62. Understanding the effects of electrolyte pH and spectator ions on electrocatalysis

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63. Hydrocarbon cracking over a solid acid for endothermic fuel systems: A study of sub-micron particles and synthesized large zeolite crystals

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64. Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics

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65. Selective Hydrogen Sulfide Removal from Biogas on Nitrogen-Modified Adsorbents

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66. Computational Rational Design of High-performance Multi-component Catalysts

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67. Understanding Lithium Plating in Lithium-Ion Batteries and Exploring Mitigation Strategies by Self-Heating

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68. Development and Applications of Computational Enzyme Engineering Tools

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69. ADSORPTION OF TRANSITION METAL COMPLEXES ON METAL OXIDE SUPPORTS: PROBING THE SOLID-LIQUID INTERFACE IN HETEROGENEOUS CATALYST SYNTHESIS

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70. FUNDAMENTAL UNDERSTANDING THE MECHANISM OF SHAPE CONTROLLED SYNTHESIS OF SILVER NANOPARTICLES

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71. Probing monocrystalline and multiply-twinned nanocrystal growth from thermodynamic and kinetic perspectives

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72. Conjugated Block Copolymers as Model Systems to Examine Mechanisms of Charge and Energy Transfer in Organic Materials

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73. Solvent Effects in Catalytic Conversion of Biomass to Fuels and Chemicals

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74. Heterogeneous Catalysts for the Oxygen Evolution Reaction and the Hydrolysis of Ammonia Borane

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75. Transition metal doped rare-earth metal oxide catalysts for dry reforming of methane: first principles calculation

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76. Engineering the solid-electrolyte interface with sulfur-rich and chlorine-rich materials to protect lithium metal anodes for Li-S batteries

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78. Multi-Scale Investigations in Soot Formation and Chemical Vapor Deposition

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79. Applications of Solid State Nuclear Magnetic Resonance Spectroscopy for Non-destructive Analysis of Plant Cell Walls and Engineered Soil Surrogates

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80. Tight Binding Model of Charge Localization and Excitons in Semiconducting Polymers

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81. Modeling Micro- and Macro-Scale Two-Phase Flow in 3D Flow Channels of Proton Exchange Membrane Fuel Cells

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82. Semiconductor-Solution Interfaces From First Principles

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83. Reading between the lamellae: Elucidating block copolymer morphology using polarized resonant soft X-ray scattering

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84. SYNTHESIS, CHARACTERIZATION AND CATALYTIC TESTING OF PALLADIUM AND NICKEL BASED INTERMETALLIC COMPOUNDS FOR ACETYLENE SEMI-HYDROGENATION

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85. Iron-Copper Bimetallic Catalysts for Direct Carbon Dioxide Hydrogenation to Higher Hydrocarbons

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86. ReaxFF reactive force field investigations in combustion and nascent soot formation

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87. Computational Redesign Of Channel Proteins, Enzymes, and Antibodies

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89. A Numerical Investigation into the Relationship Between Fiber Arrangement and Advective Transport in Ag-Thermally Regenerative Battery Electrodes

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90. Palladium Zinc Based Intermetallic Catalysts to Probe Hydrogenation Active Site Ensembles

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91. Local environment inside microporous materials and their consequences for catalysis and adsorption

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92. Tuning metal-support interaction for catalysis at multi-component interfaces

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93. active site requirement for selective hydrogenation

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94. KINETIC STUDY OF CO2 SORPTION BY SOLID AMINE MATERIALS AND CATALYTIC OXIDATION OF CARBON MONOXIDE BY CERIA-SUPPORTED SINGLE-ATOM NOBLE-METAL CATALYSTS

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95. Interfacial Design Strategies for Enhanced Nitrogen Reduction Electrocatalysis

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96. Understanding polar ordering and piezoelectric properties of noncentrosymmetric crystalline biopolymers

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97. Light-enhanced Oxidative Adsorption Desulfurization Of Dibenzothiophene In Diesel Fuel Over TiO2-ZrO2 Mixed Oxides

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98. Plasma-Assisted Catalytic Reduction of Sulfur Dioxide to Elemental Sulfur

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