International Assessment of Research and Development in Catalysis by Nanostructured Materials Sponsors: World Technology Evaluation Center, Inc.

WTEC is conducting the International Assessment of Research and Development in Catalysis by Nanostructured Materials, cosponsored by the U.S. National Science Foundation (NSF), the U.S. Department of Energy (DoE), The Air Force Office of Scientific Research (AFOSR) and the Defense Threat Reduction Agency (DTRA). WTEC is the leading organization in the U.S. conducting international technology assessments via expert review, and has conducted over 60 such studies since World Technology Evaluation Center, Inc.

 Open sources and open dissemination (  Mutually beneficial exchange of ideas among hosts and U.S. delegations  Review of draft reports by hosts prior to public dissemination; proprietary considerations honored Key Principles of WTEC Studies

Identify good ideas and areas overseas and mechanisms for achieving potential collaboration with U.S. R&D programs Identify good ideas and areas overseas and mechanisms for achieving potential collaboration with U.S. R&D programs Clarify research opportunities and needs for promoting progress in the field generally Clarify research opportunities and needs for promoting progress in the field generally Overall Scope/Objectives of the Study

Design and Control of Synthetic Catalytic Structures Design and Control of Synthetic Catalytic Structures Nanoscale Characterization of Catalysts in Their Working State Nanoscale Characterization of Catalysts in Their Working State Computation and Modeling Computation and Modeling Applications Applications Further details on the study are available at Further details on the study are available at Particular Focus of the Study

The Catalysis Project Team Expert Panel Robert Davis (Chair) University of Virginia Robert Davis (Chair) University of Virginia Vadim Guliants University of Cincinnati Vadim Guliants University of Cincinnati George Huber University of Massachusetts George Huber University of Massachusetts Raul Lobo University of Delaware Raul Lobo University of Delaware Jeffrey Miller BP Jeffrey Miller BP Matt Neurock University of Virginia Matt Neurock University of Virginia Renu Sharma Arizona State University Renu Sharma Arizona State University Levi Thompson University of Michigan Levi Thompson University of Michigan Other Members John Regalbuto NSF Sponsor John Regalbuto NSF Sponsor Gerald Hane WTEC Representative Gerald Hane WTEC Representative

Robert J. Davis Professor and Chair, Department of Chemical Engineering University of Virginia, Charlottesville, VA Exploring the activity and selectivity of gold catalysts Converting biorenewable molecules by catalytic oxidation and hydrogenolysis Transesterifying triglycerides with methanol over solid base catalysts Developing the science of immobilized molecular catalysts

Vadim V. Guliants Department of Chemical and Materials Engineering, University of Cincinnati Rational design of catalytic mixed metal oxides from atoms and molecules to macroscale entities Rational design of catalytic mixed metal oxides from atoms and molecules to macroscale entities Understanding process chemistry and structural physics of nanocrystalline, nanoporous and microemulsion systems by tying together material engineering principles, surface science and materials chemistry Understanding process chemistry and structural physics of nanocrystalline, nanoporous and microemulsion systems by tying together material engineering principles, surface science and materials chemistry Current projects Current projects –Interfacially stabilized metallic nanoparticles for partial oxidation and reforming of biomass and other sources –Biomimetic systems for biocatalytic production of pharmaceuticals and fine chemicals –Self-assembly of nanostructured materials for selective alkane oxidation catalysis and gas separations

George W. Huber University of Massachusetts- Amherst Breaking the Chemical and Engineering Barriers to Lignocellulosic Biofuels Breaking the Chemical and Engineering Barriers to Lignocellulosic Biofuels Aqueous-Phase Processing of Biomass- Derived Oxygenates Aqueous-Phase Processing of Biomass- Derived Oxygenates –Hydrogen using Aqueous-Phase Reforming –Light alkanes by Aqueous-Phase Dehydration/Hydrogenation (APD/H) –Liquid Alkanes Production with Combined Dehydration, Aldol- condensation and APD/H. Utilization of Petroleum Refining Technologies for Biofuels Production Utilization of Petroleum Refining Technologies for Biofuels Production –Catalytic Cracking –Hydrotreating Catalytic Fast Pyrolysis Catalytic Fast Pyrolysis Catalytic Upgrading of Bio-oils Catalytic Upgrading of Bio-oils

Raul Lobo University of Delaware Photocatalysis by Microporous MaterialsPhotocatalysis by Microporous Materials Bimetallic Nanoparticles in Zeolite CatalystsBimetallic Nanoparticles in Zeolite Catalysts Nanoporous Carbon StructuresNanoporous Carbon Structures Fundamentals of zeolite synthesisFundamentals of zeolite synthesis ETS-10 Selective Acetylene Hydrogenation

Jeffrey T. Miller BP Chemical Company Molecular sieve and zeolite catalysis Molecular sieve and zeolite catalysis Metal Nanoparticle Catalysis Metal Nanoparticle Catalysis –Synthesis methods for: Particles of different size Particles of different size Supported and unsupported particles Supported and unsupported particles Novel and uniform alloy composition Novel and uniform alloy composition –Effect of composition on intrinsic kinetic and chemisorption properties In-situ X-ray absorption spectroscopy In-situ X-ray absorption spectroscopy –Influence of composition on XANES spectra –Influence on composition on structure –Determination of transient kinetic effects in the preparation, pretreatment and under reaction conditions –Advanced methods of XAFS spectroscopy and analysis

Matthew Neurock Computational Heterogeneous Catalysis Ab initio and Multiscale Methods for Catalysis. Computational Catalyst and Materials Design. Applications: Simulation Complex Catalytic Environments. Departments of Chemical Engineering and Chemistry University Of Virginia, Charlottesville, VA. Fuel Cell Electrocatalysis Conversion of Biorenewable Feeds Heterogeneous Catalysis in Solution Alkane Activation Oxygenate Synthesis Automotive Exhaust Treatments Acid Catalyzed Conversion Catalyst Deactivation

 In situ observations of Redox behavior of individual catalyst nanoparticles.  In situ observations of the growth of the carbon nanotubes and Si nanowires during catalytic chemical vapor deposition. Areas of Expertise Development of transmission electron microscopy based techniques for in situ observations of catalyst nanoparticles at high temperature and in gaseous environment.. 5 nm High resolution images and electron energy-loss spectra (inset) Unreduced (top) and reduced (bottom) particle during heating in 1.5 Torr H 2 at 580C People/sharma.html Renu Sharma Arizona Sate University Areas of Research Atomic-level characterization of gas-solid interactions of catalytic processes during synthesis and functioning of nanomaterials. For example,

Levi T. Thompson University of Michigan Nanostructured Carbide and Nitride Catalysts Nanostructured Carbide and Nitride Catalysts – Methanol/Ethanol Steam Reforming – Water Gas Shift – Selective Hydrogenation – Base Catalyzed Reactions Novel Fuel Processing Materials Novel Fuel Processing Materials – Nanostructured Gold and Palladium Catalysts – Nanostructured Sulfur Sorbents NOx Selective Catalytic Reduction NOx Selective Catalytic Reduction Nano- and Microstructured Systems Nano- and Microstructured Systems – PEM Fuel Cells – Lithium Ion Batteries – Hydrocarbon Fuel Processors – Photoelectrochemical Cells ~70 nm ~1.1 µm

Asia Sites To Be Visited (1) Asia Sites To Be Visited (1) CHINA Tsinghua University Tsinghua University Tianjin University (meeting elsewhere) Tianjin University (meeting elsewhere) Research Institute of Petroleum Processing, Sinopec Research Institute of Petroleum Processing, Sinopec Beijing University Beijing University

Asia Sites To Be Visited (2) Asia Sites To Be Visited (2) CHINA Institute of Coal Chemistry Institute of Coal Chemistry Dalian Institute of Chemical Physics Dalian Institute of Chemical Physics Dalian University of Technology Dalian University of Technology

Asia Sites To Be Visited (3) Asia Sites To Be Visited (3) JAPAN The Photon factory The Photon factory Tsukuba University Tsukuba University University of Tokyo University of Tokyo Advanced Industrial Science and Technology Advanced Industrial Science and Technology

Asia Sites To Be Visited (4) Asia Sites To Be Visited (4) JAPAN University of Hokkaido University of Hokkaido Hitachi Corporation Hitachi Corporation Tokyo Metropolitan University Tokyo Metropolitan University Toyota Corporation Toyota Corporation Tokyo Institute of Technology Tokyo Institute of Technology

Asia Sites To Be Visited (4) Asia Sites To Be Visited (4) S. KOREA Korea Advanced Institute of Science and Technology Korea Advanced Institute of Science and Technology Seoul National University Seoul National University

Europe Sites To Be Visited DENMARK …. ….FRANCE ….. …..FINLAND …. ….GERMANY ….. …..NETHERLANDS …SPAIN …. ….SWITZERLAND ….. ….. UNITED KINGDOM

Study Schedule 2007 Kickoff Meeting8 February Kickoff Meeting8 February Asia site visits 2-9 June Asia site visits 2-9 June Europe Site Visits22-29 September Europe Site Visits22-29 September November Final Workshop November Final Workshop February 2008 Final Report February 2008 Final Report

Thank You!