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US – Egypt science and Technology Institute Dr. Mostafa A. El-Sayed Julius Brown Chair and Regents Professor Georgia Institute of Technology Atlanta, Georgia, USA "Nanomaterials and Nanocatalysis for Energy, Petrochemicals and Environmental Applications" National Research Centre Cairo, March 27 – April 5 under the auspices of Prof . Dr. Ashraf Shaalan President, National Research Centre Organized by Prof. Dr. Mohamed S. El-Shall Prof. of Chemistry Virginia Commonwealth University Richmond, Virginia, USA Prof. Dr. Ali Ali Shabaka Professor of Spectroscopy, Physics Division, National Research Centre, Cairo, Egypt US – Egypt ASI Egyptian scientific and organizing committee (Alphabetical order) Ali Ali Shabaka Professor of Spectroscopy, Physics Division, National Research Centre, Cairo, Egypt Ayman Mohamady Head of Special Application, Egyptian Petroleum Research Institute (EPRI), Cairo, Egypt Hassan Talaat Professor of Physics, Faculty of Science, Ain Shams University, Cairo, Egypt Mahmoud Zawra Head of Center of Excellence for Advanced Sciences, National Research Centre, Cairo, Egypt Mona Bakr Professor in National Institute of Laser Enhanced Science (NILES) Cairo University, Giza, Egypt Yassir Mostafa Vice Director of Central Analytical of Egyptian Petroleum Research Institute (EPRI), Cairo, Egypt 1 First Day Sunday, March 28, 2010 National Research Centre, Cairo 9:00 – 10:00 Registration 10:00 – 11:00 Opening Session 10:00 - 10:15 Prof. Dr. Samy El-Shall ASI Chairman & US Organizer Virginia Commonwealth University, USA 10:15 – 10:30 Prof. Dr. Mostafa El-Sayed US Co-Organizer Georgia Institute of Technology, USA 10:30 – 10:40 Margaret Scobey Her Excellency USA Ambassador to Egypt 10:40 – 10:50 Prof. Dr. Ashraf Shaalan President, National Research Centre 11:00 – 11:30 Coffee Break 11:30 – 13:30 PLENARY SESSION-1 NANOMATERIALS & CATALYSIS Chairpersons: Lotfia El Nadi (Egypt) & Samy El-Shall (USA) 11:30 – 12:30 The Use of the Nanoscale Confinement Properties of Nanoparticles in Some Applications to Environmental, Catalytic and Energy Research Mostafa El-Sayed Georgia Institute of Technology Atlanta, GA 30332-0245, USA 2 12:30 – 13:30 Catalysis from Single Crystals to Nanoparticles & Energy Applications D. Wayne Goodman Texas A&M University College Station, TX 77842-3012, USA 13:30 – 14:45 Lunch 14:45 – 16:45 PLENARY SESSION-2 NANOMATERIALS & SOLAR CELLS Chairpersons: Mostafa El-Sayed (USA) & Ahmed Galal (Egypt) 14:45 – 15:45 Nanostructure Nanoassemblies for Next Generation Solar Cells Prashant V. Kamat University of Notre Dame Notre Dame, Indiana 46556-0579, USA 15:45 – 16:45 The Rise of Graphene: Catalysis & Nanocomposite Applications M. Samy El-Shall Virginia Commonwealth University Richmond, VA 23284-2006, USA 17:00 19:30 – 21:30 21:30 Bus to Old Cairo & Khan Al Khalili Dinner at Naguib Mahfouz Restaurant Bus to Swiss Inn Pyramids Resort 3 Day 2 Monday, March 29, 2010 Hilton Pyramids Golf Resort Dreamland, El Wahat Road, 6th of October City, Egypt 2500 9:00 – 11:00 SESSION-3 FUNDAMENTALS OF NANOCATALYSIS-1 Chairpersons: Wayne Goodman (USA) & Mohammed Ibrahim Zaki (Egypt) 9:00 – 10:00 Fundamentals of Surface Reactions & Mechanisms Francisco Zaera University of California at Riverside Riverside, CA 92521, USA 10:00 – 11:00 Tutorial for Characterizing Catalysts using Probe Molecules Mark G. White Mississippi State University Mississippi State, MS 39762-9595, USA 11:00 – 11:30 Coffee Break 11:30 – 13:30 SESSION-4 FUNDAMENTALS OF NANOCATALYSIS-2 Chairpersons: Francisco Zaera (USA) & Hassan Talaat (Egypt) 11:30 – 12:30 Supported Metal Clusters: Spectroscopic and Microscopic Evidence of Synthesis, Structure, Reactivity, and Catalysis Bruce Gates University of California at Davis Davis, CA 95616, USA 4 12:30 – 13:30 Nanostructured Surfaces for Sensing and Catalysis Applications Ahmed Galal Faculty of Science, University of Cairo Giza 12613, Egypt 13:30 – 15:00 Lunch 16:00 – 18:00 SESSION-5 FUNDAMENTALS OF NANOCATALYSIS-3 Chairpersons: Mark White (USA) & Abd El-Aziz M. Saeed (Egypt) 16:00 – 17:00 Observation of Chemical Reactions on Surfaces using STM. Watching Individual Molecules do their Molecular Dances John T Yates, Jr. University of Virginia Charlottesville, VA 22904, USA 17:00 – 18:00 Surface Enhanced Raman Spectroscopy as Nanoscience Hassan Talaat Faculty of Science, Ain Shams University Cairo, Egypt 18:30 – 20:00 Dinner 20:00 – 22:00 Poster Session I 5 Day 3 Tuesday, March 30, 2010 Hilton Pyramids Golf Resort 9:00 – 11:00 SESSION-6 SUPPORTED METAL OXIDES Chairpersons: Mohamed Eddaoudi (USA) & Ahmed Abd El-Menniem (Egypt) 9:00 – 10:00 Synthesis and Characterization of Highly-Dispersed, Supported Metal Oxide Catalysts Mark G. White Mississippi State University Mississippi State, MS 39762-9595, USA 10:00 – 11:00 Selective Oxidation of Methanol to Formaldehyde over Molybdenum Oxide Supported on Nano- Hydroxyapatite Catalysts Abd El-Aziz Mohamed Said Faculty of Science, Assiut University Assiut, Egypt 11:00 – 11:30 Coffee Break 11:30 – 13:30 SESSION-7 NATURAL GAS & WATER-GAS SHIFT Chairpersons: Mohammed Ibrahim Zaki (Egypt) Mark White (USA) & 11:30 – 12:30 Oxidative Coupling of Natural Gas using Nano-Membrane Technology Magdy M. Nasrallah Department of Petroleum and Energy Engineering The American University in Cairo Cairo, Egypt 12:30 – 13:30 Recent Developments in the Application of 6 Nanoparticles of Differently Prepared Modified Metal Gold / Supported Catalysts for the Water Gas Shift Activity Rabee Gabr Faculty of Science, Assiut University Assiut, Egypt 13:30 – 15:00 Lunch 16:00 – 18:00 SESSION-8 PETROCHEMICAL CATALYSIS Chairpersons: Samy El-Shall (USA) & Magdi M. Nasralla (Egypt) 16:00 – 17:00 Petrochemicals Processing: Past Experience and Future Prospects Mohammed Elsokkary Egyptian Petroleum Research Institute (EPRI) Cairo, Egypt 17:00 – 18:00 A View on Catalysis in the Process Development Department in EPRI Kadri Abu El-Gheit Egyptian Petroleum Research Institute (EPRI) Cairo, Egypt 18:30 – 20:00 Dinner 20:00 – 21:00 Ethics of Scientific Publication: How to Write an Effective Scientific Paper Prashant V. Kamat University of Notre Dame Notre Dame, Indiana 46556-0579, USA 21:00 – 22:00 Round Table Discussion 7 Day 4 Wednesday, March 31, 2010 Hilton Pyramids Golf Resort 9:00 – 11:00 SESSION-9 NANOMATERIALS FOR ENERGY & ENVIRONMENT-1 Chairpersons: Puru Jena (USA) & Mona M. Bakr (Egypt) 9:00 – 10:00 Carbon Nanostructures for Energy Conversion Prashant V.Kamat University of Notre Dame Notre Dame, Indiana 46556-0579, USA 10:00 –11:00 Effect of Preparation Parameters on the Properties of TiO2 Nanoparticles for Dye Sensitized Solar Cells Abd El-Hady Besheir Kashyout Mubarak City for Scientific Research & Technology Applications Burg El-Arab, Alexandria, Egypt 11:00 – 11:30 Coffee Break SESSION-10 NANOMATERIALS FOR ENERGY & ENVIRONMENT-2 Chairpersons: Bruce Gates (USA) & Kadri Abu El-Gheit (Egypt) 11:30 – 12:30 Nanomaterials in Environmental Processes Vicki Grassian University of Iowa Iowa City, IA 52242-1294, USA 12:30 – 13:30 Fundamental Aspects of Photochemistry on TiO2 8 Surfaces-Using Sunlight for Environmental Remediation John T Yates, Jr. University of Virginia Charlottesville, VA 22904, USA 13:30 – 15:00 Lunch 16:00 – 18:00 SESSION-11 NANOMATERIALS FOR ENERGY APPLICATIONS Chairpersons: John Yates (USA) & Abd El-Hady B. Kashyout (Egypt) 16:00 – 17:00 Plasmonic-Semiconductor Hybrid Nanostructures for Photo-Electronic Device Fabrication Mona Bakr Mohamed National Institute of Laser Enhanced Science Cairo University, Giza, Egypt 17:00 – 18:00 Design and In-situ Measurements of Catalytic Conversion and Electrochemical-Energy-Storage Materials: A Bright Future for Synchrotron-based Energy Science Faisal M. Alamgir Georgia Institute of Technology Atlanta, GA 30332-0245, USA 18:30 – 20:00 Dinner 20:00 – 22:00 Poster Session II 9 Day 5 Thursday, April 1, 2010 Hilton Pyramids Golf Resort 9:00 – 11:00 SESSION-12 GOLD-BASED NANOCATALYSTS Chairpersons: Samy El-Shall (USA) & Mona Bakr (Egypt) 9:00 – 10:00 Confining Resonant Photons to the Nano-Gold Length Scale: The New Properties and Applications in Material Science, Nanobiology and Cancer Nano- Medicine Mostafa El-Sayed Georgia Institute of Technology Atlanta, GA 30332-0245, USA 10:00 – 11:00 Catalysis by Nanosized Gold: The Nature of the Active Site D. Wayne Goodman Texas A&M University College Station, TX 77842-3012, USA 11:00 – 11:30 ASI Formal Group Photo Coffee Break SESSION-13 IR CATALYSIS STUDIES Chairpersons: Vicki Grassian (USA) & Mahmoud Khedr (Egypt) 11:30 – 12:30 Infrared Studies of Interest to Catalysis and Microelectronics 10 Francisco Zaera University of California at Riverside Riverside, CA 92521, USA 12:30 – 13:30 IR Observation of Adsorptive and Catalytic Interactions on Metal and Metal Oxide Surfaces Mohammed Ibrahim Zaki Faculty of Science, El Menia University El Menia, Egypt 13:30 – 15:00 Lunch 16:00 – 18:00 SESSION-14 PLASMONIC & HYBRID NANOSTRUCTURED MATERILAS Chairpersons: Francisco Zaera (USA) & Hassan Talaat (Egypt) 16:00 – 17:00 Laser Vaporization Controlled Condensation for the Synthesis of Supported Nanoparticle Catalysts, Nanoalloys & Up-Converting Nanoparticles M. Samy El-Shall Virginia Commonwealth University Richmond, VA 23284-2006, USA 17:00 – 18:00 An Integrated Approach using Spectroscopy, Microscopy and Particle Sizing Methods to Investigate Chemistry on the Nanoscale Vicki Grassian University of Iowa Iowa City, IA 52242-1294, USA 19:00 – 21:00 21:00 – 22:00 Sound & Light Show by the Pyramids Dinner 11 Day 6 Friday, April 2, 2010 Full Day Excursion 9:00 Bus to Sakkara 11:00 Pyramids 12:00 Lunch at the Pyramids 13:00 Egyptian Museum 17:30 Gizyra & Nile Area 19:00 Dinner in Al Saraya Boat 21:00 Bus to Swiss Inn Pyramids Resort 12 Day 7 Saturday, April 3, 2010 Hilton Pyramids Golf Resort 9:00 – 11:00 SESSION-15 DESIGN & SYNTHESIS OF NANOMATERIALS FOR ENERGY APPLICATIONS Chairpersons: Lotfia El Nadi (Egypt) & Joseph Francisco (USA) 9:00 – 10:15 Design of Nanomaterials for Energy Applications Puru Jena Virginia Commonwealth University Richmond, VA 23284, USA 10:15 – 11:00 Synthesis, Characterization and Evaluation of New Materials for Hydrogen Storage Nahla Isamil National Research Centre Cairo, Egypt 11:00 – 11:30 Coffee Break 11:30 – 13:15 SESSION-16 HIGH SURFACE AREA MATERIALS Chairpersons: Prashant Kamat (USA) & Nahla Isamil (Egypt) 11:30 – 12:30 Metal-Organic Materials: Strategies toward Functional Porous Materials Mohamed Eddaoudi The University of South Florida Tampa, Florida, 33620, USA 13 12:30 – 13:15 Acid Catalyzed Organic Transformations by Heteropoly Tungstophosphoric Acid Supported on MCM-41 and MIL-101 Abd Elrahman Khedr El- Mansoura University El-Mansoura, Egypt 13:15 – 14:45 Lunch 15:30 – 18:00 SESSION-17 ATMOSPHERIC & ENVIRONMENTAL CATALYSIS Chairpersons: Puru Jena (USA) & Ahmed Galal (Egypt) 15:30 – 16:30 Atmospheric Processes on Aerosol and Cloud Surface Joseph S. Francisco Purdue University West Lafayette, Indiana, USA 16:30 – 17:15 Nanocatalysts for CO Oxidation on Different Supports: Mesopourous MCM-41, MIL-101 & Mixed Metal Oxides Hassan M. Ahmed Hassan Suez Canal University Suez, Egypt 17:15 – 18:00 New Nano-Crystalline Electrode Materials for Green Hydrogen Fuel Production from Seawater Electrolysis Ahmed Abd El-Menniem German University in Cairo Cairo, Egypt 18:30 – 20:00 Dinner 20:00 – 21:30 Round Table Discussion Samy El-Shall & Mostafa El-Sayed ASI Evaluation 14 Day 8 Sunday, April 4, 2010 Hilton Pyramids Golf Resort 9:00 – 10:45 SESSION-18 CARBON NANOTUBES Chairpersons: Osama Fouad (Egypt) & Faisal Alamgir (USA) 9:00 – 10:00 Metallic and Bimetallic Nanocatalysts for the Economic Synthesis of Decorated Carbon Nanotubes (CNT) for Environmental Applications Mahmoud H. Khedr Faculty of Science, Benisuef university Benisuef, Egypt 10:00 – 10:45 Heating and Cooling Dynamics of Carbon Nanotubes Observed by Temperature-Jump Spectroscopy and Electron Microscopy Omar F. Mohammed Arthur Amos Noyes Laboratory of Chemical Physics California Institute of Technology Pasadena CA 91125, USA 11:30 Bus to NRC Boxed Lunch on the Bus 15 Day 8 Sunday, April 4, 2010 International Collaboration & ASI Conclusions National Research Centre, Cairo 13:00 – 15:00 SESSION-19 INTERNATIONAL COLLABORATION Chairperson: Samy El-Shall 13:00 – 14:00 Funding Opportunities in International Collaborations for Materials Research and Education Zakya Kafafi Director, Division of Materials Research (DMR) National Science Foundation (NSF) Arlington, VA 22230, USA 14:00 – 15:00 Overview of the American Chemical Society and U.S. efforts to celebrate the International Year of Chemistry 2011 Joseph S. FranciscoPresident American Chemical Society 15:00 – 15:30 Coffee Break 15:30 – 16:30 SESSION-20 CONCLUSIONS & OUTLOOK Chairperson: Mostafa El-Sayed 15:30 – 16:00 ASI Conclusions Samy El-Shall 16 16:00 – 16:30 Closing Remarks Professor Ashraf Shaalan President National Research Centre 17:00 Bus to Nile Cruise 18:00 Nile Cruise Farewell Dinner 17 ABSTRACTS First Day Sunday, March 28, 2010 PLENARY SESSION-1 NANOMATERIALS & CATALYSIS 11:30 – 13:30 Lecture 1 The Use of the Nanoscale Confinement Properties of Nanoparticles in Some Applications to Environmental, Catalytic and Energy Research Mostafa El-Sayed Lecture 2 Catalysis from Single Crystals to Nanoparticles & Energy Applications D. Wayne Goodman PLENARY SESSION-2 NANOMATERIALS & SOLAR CELLS 14:45 – 16:45 Lecture 1 Nanostructure Nanoassemblies for Next Generation Solar Cells Prashant V. Kamat Lecture 2 The Rise of Graphene: Catalysis & Nanocomposite Applications M. Samy El-Shall 18 Sunday March 28, 2010; 11:30 The Use of the Nanoscale Confinement Properties of Nanoparticles in Some Applications to Environmental, Catalytic and Energy Research Mostafa A. El-Sayed Laser Dynamics Laboratory, Georgia Institute of Technology Atlanta, GA 30332-0245, USA E-mail: mostafa.el-sayed@chemistry.gatech.edu Reducing the size of material to the nanometer scale confines the motion of its electrons (as in quantum dots used in Bio-labeling) ,the reactants in a chemical reaction which enhances reaction rates (as in nano-reactors), the phonons which heats up and speeds up reaction rates and photons which enhances the electro-magnetic fields of plasmonic gold and silver nano-particles The potential use of these new nano-properties are discussed in the catalytic destruction of some pollutants, in reducing the activation energy in catalysis and in the plasmonic enhancements of the radiative properties of bio-intermediates useful in solar energy conversion by the bacterio-rhodopsin photo-synthetic system. 19 Sunday March 28, 2010; 12:30 Catalysis from Single Crystals to Nanoparticles & Energy Applications D. W. Goodman Department of Chemistry, Texas A&M University College Station, TX 77842-3012, USA E-mail: goodman@mail.chem.tamu.edu The electronic, structural, and chemical properties of unsupported mixed-metal surfaces prepared either as single crystals or thin films have been detailed and contrasted with the corresponding properties of supported mixed-metal nanoclusters. The latter vary in size from a few atoms to many and have been prepared on ultrathin single crystalline oxide supports of TiO2, Al2O3, and SiO2. An array of surface techniques including reaction kinetics of vinyl acetate synthesis have been used to correlate catalytic function of these surfaces with their physical and electronic properties. Recent studies of mixed-metal catalysts prepared by alloying Pd with Au will be highlighted [1-7]. Thin film Pt-Co alloy electrocatalysts have been characterized using low energy ion scattering spectroscopy (LEISS), X-Ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED), temperature programmed desorption (TPD), and electrochemical measurements. This combined approach is used to correlate the electrocatalytic activity of Pt-Co toward the oxygen reduction reaction (ORR) with the surface properties of the catalyst before and after the electrochemical measurements. LEISS shows that Pt-Co films form a stable and well-ordered alloy at the outmost layer when annealed to sufficiently high temperatures. The surface phase diagram of co-deposited Pt-Co films shows preferential Pt segregation to the surface. Based on the open-circuit cell potential (OCP) in an O2-saturated sulfuric acid electrolyte, Pt3Co thin films exhibit the highest OCP compared to other Pt-Co bulk compositions. A limited amount of Co was dissolved immediately upon exposure to an electrochemical environment and the fraction stripped was found to be dependent of the applied potential. References 1. M. S. Chen and D. W. Goodman, Science, 306, 252 (2004). 2. M. S. Chen and D. W. Goodman, Accts Chem. Res, 39, 739 (2006). 3. M. S. Chen, D. Kumar, C.-W. Yi and D. W. Goodman, Science, 310, 291 (2005). 4. M. S. Chen, Y. Cai, Z. Yan and D. W. Goodman, J. Amer. Chem. Soc., 128, 6341(2006). 5. C. W. Yi, K. Luo, T. Wei and D. W. Goodman, J. Phys. Chem. B, 109, 18535 (2005). 6. P. Han, S. Axnanda, I. Lyubinetsky, and D. W. Goodman, J. Am. Chem. Soc., 129, 14355 (2007). 7. F. Gao, Y. Wang, and D. W. Goodman, J. Am. Chem. Soc., 131, 5734 (2009). 20 Sunday March 28, 2010; 14:45 Nanostructure Nanoassemblies for Next Generation Solar Cells Prashant V. Kamat Department of Chemistry and Biochemistry, Department of Chemical and Biomolecular Engineering, and Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556 E-mail: pkamat@nd.edu Environmentally friendly energy resources are needed to meet our clean energy demand. Semiconductor nanoparticle and nanotube assemblies provide new ways to develop next generation solar cells.[1-4]. Of particular interest is the nanowire/nanotube architecture which can significantly improve the efficiency of nanostructure based solar cells. We have now developed quantum dot solar cells by assembling different size CdSe quantum dots on TiO2 films composed of particle and nanotube morphologies (Scheme 1). Upon bandgap excitation, CdSe quantum dots inject electrons into TiO2 nanoparticles and nanotubes, thus enabling the generation of photocurrent in a photoelectrochemical solar cell. These composite semiconductor nanostructures can be tailored to tune the photoelectrochemical response via size control of CdSe quantum dots and improve the photoconversion efficiency by facilitating the charge transport through TiO2 nanotube architecture. Ways to improve power conversion efficiency and maximize the light harvesting capability through the construction of a rainbow solar cell and carbon nanotube-semiconductor hybrid assemblies will be presented. The salient features of carbon nanotube and graphene scaffolds [5, 6] for facilitating charge collection and charge transport will also be discussed. Scheme1. CdSe quantum dots linked to (a) TiO2 nanoparticle and (b) TiO2 nanotube films. (c) Energy level diagram depicting electron injection from CdSe quantum dots into TiO2. References 1. Kamat, P. V., Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters. J. Phys. Chem. C, 2008, 112, 18737-18753. 21 2. Kongkanand, A.; Tvrdy, K.; Takechi, K.; Kuno, M. K.; Kamat, P. V., Quantum Dot Solar Cells. Tuning Photoresponse through Size and Shape Control of CdSe-TiO2 Architecture. J. Am. Chem. Soc., 2008, 130, 4007-4015. 3. Farrow, B.; Kamat, P. V., CdSe Quantum Dot Sensitized Solar Cells. Shuttling Electrons through Stacked Carbon Nanocups J. Am. Chem. Soc, 2009, 131, 11124-11131. 4. Brown, P.; Kamat, P. V., Quantum Dot Solar Cells. Electrophoretic Deposition of CdSe- C60 Composite Films and Capture of Photogenerated Electrons with nC60 Cluster Shell. J. Am. Chem. Soc., 2008, 130, 8890–8891. 5. Kongkanand, A.; Kamat, P. V., Electron Storage in Single Wall Carbon Nanotubes. Fermi Level Equilibration in Semiconductor–SWCNT Suspensions. ACSNano, 2007, 1, 13-21. 6. Williams, G.; Seger, B.; Kamat, P. V., TiO2-Graphene Nanocomposites. UV-Assisted Photocatalytic Reduction of Graphene Oxide. ACS Nano, 2008, 2, 1487-1491. 22 Sunday March 28, 2010; 15:45 The Rise of Graphene: Catalysis and Nanocomposite Applications M. Samy El-Shall Department of Chemistry, Virginia Commonwealth University Richmond, Virginia 23284, USA E-mail: mselshal@vcu.edu Graphene has attracted great interest both for a fundamental understanding of its unique structural and electronic properties and for important potential applications in nanoelectronics and devices. The combination of highest mobility, thermal, chemical and mechanical stability with the high surface area offers many interesting applications in a wide range of fields including heterogeneous catalysis where metallic and bimetallic nanoparticle catalysts can be efficiently dispersed on the graphene sheets. We have developed a facile and scalable chemical reduction method assisted by microwave irradiation1 for the synthesis of chemically converted graphene sheets and metal nanoparticles dispersed on the graphene sheets.2 In this talk we will present another novel method for the synthesis of graphene from graphite oxide by a fast laser irradiation process that does not involve the use chemical reducing agents and allows the production of high quality graphene for many applications in electronics, devices and catalyst support. We will also present several examples of nanocatalysis involving metallic and bimetallic supported nanoparticle catalysts.2,3 However, the most interesting study involves the use of a palladium/graphene (Pd/G) nanocatalyst for the synthesis of complex organic molecules using the Suzuki, Heck and Sonogashira coupling reactions. These reactions have typically been performed under homogeneous conditions to enhance the catalytic activity and selectivity for specific reactions. However, the issues associated with homogeneous catalysis remain a challenge to the broader application of these synthetic tools due to the lack of recyclability and potential contamination from residual metal in the reaction product. Our results demonstrate, for the first time, that the Pd/G is a high active catalyst for the Suzuki, Heck and Sonogashira C-C coupling reactions. This highly catalytic activity is accompanied by an unusual recyclability of the catalyst, over seven times, with essentially no drop in activity and a reaction that achieves 100% yield. Reasons for the exceptional activity and stability of the Pd/G catalyst will be discussed. References 1. V. Abdelsayed, A. Aljarash, and M. S. El-Shall, Chem. Mater. 2009, 21, 2825-2834. 2. M. S. El-Shall, V. Abdelsayed, A. S. Khder, H. M. A. Hassan, H. M. El-Kaderi, and T. Reich, J. Mater. Chem. 2009, 19, 7625-7631. 3. H. M. A. Hassan, V. Abdelsayed, A. S. Khder, K. M. AbouZeid, J. Terner and M. S. El- Shall, J. Mater. Chem., 2009, 19, 3832-3837. 23 ABSTRACTS Second Day Monday, March 29, 2010 SESSION-3 FUNDAMENTALS OF NANOCATALYSIS-1 9:00 – 11:00 Lecture 1 Fundamentals of Surface Reactions & Mechanisms Francisco Zaera Lecture 2 Tutorial for Characterizing Catalysts using Probe Molecules Mark G. White SESSION-4 FUNDAMENTALS OF NANOCATALYSIS-2 11:30 – 13:30 Lecture 1 Supported Metal Clusters: Spectroscopic and Microscopic Evidence of Synthesis, Structure, Reactivity, and Catalysis Bruce Gates Lecture 2 Nanostructured Surfaces for Sensing and Catalysis Applications Ahmed Galal SESSION-5 FUNDAMENTALS OF NANOCATALYSIS-3 16:00 – 18:00 Lecture 1 Observation of Chemical Reactions on Surfaces using STM. Watching Individual Molecules do their Molecular Dances John T Yates, Jr. Lecture 2 Surface Enhanced Raman Spectroscopy as Nanoscience Hassan Talaat 24 Monday March 29, 2010; 9:00 Fundamentals of Surface Reactions and Mechanisms Francisco Zaera Department of Chemistry University of California, Riverside, CA 92521, USA E-mail: zaera@ucr.edu Achieving high selectivities is arguably the main challenge in heterogeneous catalysis in the 21st century: more selective catalysis may not only be cheaper because it does not waste reactants or require expensive separation procedures, but also greener, avoiding the generation of polluting byproducts. Control of selectivity in heterogeneous catalysis has traditionally been hampered by both a lack of understanding of the molecular details that define such selectivity and the limited range of synthetic tools available to make catalysts with the specific properties required. However, progress in surface science as well as in nanotechnology and self- assembly synthesis is changing that. Here we report on studies from our laboratory using model systems to pinpoint the mechanistic factors that define selectivity in a number of increasingly subtle hydrocarbon hydrogenation and dehydrogenation reactions. The first examples show how the regioselectivity of hydrogen elimination from alkyl species adsorbed on metals is affected by the electronic properties of the surface: while nickel promotes the extraction of hydrogen atoms from the carbon directly bonded to the surface, a step that leads to undesirable cracking reactions, platinum allows for dehydrogenation further down the hydrocarbon chain and therefore facilitate more desirable isomerization processes. In a second set of examples, the issue of selectivity in alkene isomerizations involving either double- bond migrations or cis-trans interconversions is addressed. In those cases the key mechanistic steps require hydrogen abstraction from a ! carbon in the hydrocarbon chain (the second from the surface), and selectivity is defined by steric considerations around the different hydrogens available at those positions. A particular exciting observation from our work in this area is the unique ability that close-packed surfaces of platinum have in promoting the thermodynamically unfavorable but highly desirable conversion of trans alkenes to their cis counterparts; new shape-controlled catalysts were prepared to take advantage of that behavior. Finally, the more subtle issue of enantioselectivity is discussed. Chiral compounds can be produced via hydrogenation of so called prochiral reactants such as asymmetric ketones, but regular metal catalysts are achiral and therefore lead to the production of racemic mixtures. However, chirality can be bestowed on catalytic surfaces by the adsorption of chiral modifiers. Individual molecules of these modifiers may be able, by themselves, to provide the required chiral environment on the surface for such enantioselectivity, as is the case with cinchona alkaloids, but simpler molecules may also assemble into chiral supramolecular structures held together by the surface; in both cases, a specific surface chiral site is produced with the help of molecular adsorbates. The examples to be discussed in this presentation not only highlight the need to design and prepare heterogeneous catalysts with sophisticated surface sites in order to promote reactions selectively, but also hint at some of the tools available to accomplish that task. 25 Monday March 29, 2010; 10:00 Tutorial for Characterizing Catalysts using Probe Molecules Mark G. White Dave C. Swalm School of Chemical Engineering Mississippi State University, Mississippi State, MS 39762-9595 E-mail: white@che.msstate.edu I. Description of heterogeneous catalysts II. Characterizing total surface areaof materials a. Non-porous b. Porous i. Pores characterized by two-dimension (cylindrical pores) ii. Pores characterized by thee-dimensions (slit-shaped pores) iii. Plug-gauge total adsorption experiments in zeolites III. Characterizing the active surface area of supported metal catalysts a. Supported Pt i. H2 titration ii. CO titration b. Supported Cu i. N2O titration ii. H2/O2 redox iii. H2S poisoning experiments IV. Characterizing the active surface area of supported metal oxide catalysts a. Acid catalysts i. Lewis acidity 1. Perylene titration 2. Pyridine IR 3. NO titration of Cu(II) oxide ii. Brønsted acidity 1. Pyridine IR 2. Hexamethyldisilazane reaction with surface protons iii. Titrating strength of acid sites 1. 13C-NMR-MAS of labeled acetone to determine acid strengths. 2. Temperature programmed desorption of a base molecule 3. Microcalorimetry -TGA of a base molecule desorption b. Base catalysts i. Titration with carbon dioxide--hydrotalcite ii. Titration with benzoic acid—titania iii. Titration with sulfur dioxide—supported MgO/alumina c. Zeolite catalysts i. Titrating the internal, reactive surface area and total reactive surface areas with reactive probe molecules of differing sizes. 26 ii. Hoffmann elimination reaction in zeolites to determine the framework SiO2/Al2O3 ratio. Monday March 29, 2010; 11:30 Supported Metal Clusters: Spectroscopic and Microscopic Evidence of Synthesis, Structure, Reactivity, and Catalysis Bruce C. Gates Department of Chemical Engineering and Materials Science University of California at Davis, CA 95616 USA E-mail: bcgates@ucdavis.edu Metal clusters on supports are an important class of industrial catalyst, but understanding of their structures is hindered by the smallness and nonuniformity of the clusters and by the heterogeneity of the supports and the nonuniformity of the metal–support interactions. In attempts to gain fundamental understanding of this class of catalyst, we have strived to prepare uniform and well-defined metal clusters on supports that are themselves uniform or facilitate the structural characterization. The supported metal clusters were prepared from organometallic precursors (e.g., Ir(C2H4)2(acac), Rh(C2H4)2(acac), Ru3(CO)12, and Os3(CO)12), imaged with atomic resolution by use of aberration-corrected STEM, and characterized with methods including extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), and infrared (IR) spectroscopies. The quantitative structural characterizations provide the strongest evidence available demonstrating how EXAFS and TEM agree and reinforce each other in the determination of cluster sizes (Fig. 1). Transient spectra demonstrate the steps in bimetallic cluster formation on MgO from Ru3(CO)12 and Os3(CO)12 in the presence of H2 (Fig. 2) and provide more fundamental information about cluster synthesis than has been obtained for solution reactions, which are complicated by solvent effects. The reversible formation and breakup of tetrairidium clusters on a zeolite support was followed in real time with EXAFS, XANES, and IR spectroscopies, and the data show how it is possible to tune the structures of catalytically active species by choice of the reactive atmosphere. Results such as these place the chemistry of supported metal clusters on an essentially molecular foundation and provide links to the chemistry of supported metals more generally. 27 Figure 1. Cluster sizes determined by EXAFS spectroscopy and TEM. First Steps of Bimetallic Cluster Formation 1. Decarbonylation and aggregation of Ru clusters 2. Decarbonylation of Os clusters 3. Bimetallic cluster formation Figure. 2. Schematic representation of steps in bimetallic cluster formation from Ru3(CO)12 and Os3(CO)12 on MgO in the presence of H2. 28 Monday March 29, 2010; 12:30 Nano-Structured Surfaces for Sensing and Catalysis Applications Nada F. Atta, Soher A. Darwish, Shimaa M. Ali, Maher F. El-Kady, Ali M. Abdel Mageed, Hatem M. Amin, Rasha A. Ahmed, Ikram Hamdy, Eman F. Mohamed, Yasser M. Abdel Rahman, Ahmed Abdel Fatah, Ahmed Galal* Department of Chemistry, Faculty of Science University of Cairo, Postal Code 12613, Giza-Egypt Email: galalah1@yahoo.com Most of chemical transformations take place at the interface between two phases. The chemical and physical structure of the surface of a solid substrate can be tailor designed for specific and selective reactions. Several applications benefits from this approach, for instance electrochemical sensor is an example for the determination of biological and organic molecules. Molecular recognition that is the specific interaction between two or more entities, generally molecules through non-covalent interactions such as hydrogen bonding, hydrophobic forces, van der Waals forces, electro-static interactions, coordination or pi-pi-interactions is another example. In some cases, the interaction is defined as host-guest where molecular recognition exhibit molecular complementary resulting structures. Some models for the applications of polymer surfaces modified with nano-structured metals for the determination of neurotransmitters will be presented. The smallest molecule could be considered as diatomic hydrogen with a length close to 150 picometer (that is equivalent to 1.50 Å). Small organic molecules, on the other hand, used as precursors for synthetic reactions have dimensions ranging from few Å to some 100 Å. Industrial catalysis generally takes place at the nanoscale (or sub- nanoscale). Most of the catalysts are made of metal particles of a few nanometers in size and in particular all the elementary reaction steps occur at the atomic (or molecular) scale. Thus, catalysis seems to be intrinsically a nanoscale phenomenon. Therefore, the word nanocatalysis, should not apply to the catalytic phenomenon itself but to the intrinsic properties of the catalysts, that may change in the nanoscale. The most important property which influences catalysis is the electronic structure. The evolution of binding energy of valence electrons affects the change in catalytic properties. In fact, it depends on the exact number of atoms in the cluster. When the clusters, however, reach a size of about 30–50 atoms, the electronic structure evolves smoothly towards the bulk limit. We will present our recent findings for a new class of perovskites that is synthesized using microwave technique. The prepared perovskites were used in the catalytic production of hydrogen gas. Other, surfaces were also prepared from nano-deposited metal particles for selective determination of neurotransmitters. Several advantages were realized using the newly prepared surfaces; these include high efficiency in production of hydrogen and high selectivity of given chemical species in complex matrices. 29 References 1- Electrodeposited metals at conducting polymer electrodes. I- Effect of particle size and film thickness on electrochemical response, Nada F. Atta, A. Galal, F. Khalifa, Appl. Surf. Sci., 253, 4273–4282, (2007). 2- Electrodeposited metals at conducting polymer electrodes. II- Study of the oxidation of methanol at poly(3-methylthiophene) modified with Pt-Pd co-catalyst, Ahmed Galal, Nada F. Atta, Soher A. Darwish, Shimaa M. Ali, Topics in Catalysis, 47, 73- 83, (2008). 3- Palladium nanoclusters-coated poly(furan) as a novel sensor for catecholamine neurotransmitters and paracetamol, Nada F. Atta, Maher F. El-Kady, A. Galal, Sens. Actuators, B,141, 566-574, (2009). 4- Smart electrochemical sensor for some neurotransmitters using imprinted sol–gel films, Nada F. Atta, Ali M. Abdel-Mageed, Talanta, 80, 511-518, (2009). 5- Electrocatalytic evolution of hydrogen on a novel SrPdO3 perovskite electrode, A. Galal, Nada F. Atta, Soher A. Darwish, Ahmed Abdel Fatah, Shimaa M. Ali, J. Power Sources, 195, 3806-3809, (2010). 6- Synthesis, structure and catalytic activity of nano-structured Sr-Ru-O type perovskite for hydrogen production, A. Galal, Shimaa M. Ali, Soher A. Darwish, Ahmed A. Abd El Fatah, Nada F. Atta, in press, Appl. Catal.A:General, doi:10.1016/j.apcata.2010.02.015 (2010). 7- Determination of catecholamines and other compounds using pd nanoclusters poly (N-methylpyrrole) electrode in pharmaceuticals and biological fluids, Nada F. Atta, Maher F. El-Kady and Ahmed Galal, in press, Anal. Biochem., doi:10.1016/j.ab.2010.01.001, (2010) 30 Monday March 29, 2010; 16:00 Observation of Chemical Reactions on Surfaces using STM- Watching Individual Molecules do their Molecular Dances John T. Yates, Jr. Department of Chemistry University of Virginia, Charlottesville, VA 22904 E-mail: johnt@virginia.edu The scanning tunneling microscope (STM) has revolutionized the investigation of surface chemistry. In this talk I will show how the microscope was developed historically and some recent applications to the study of chemical reactivity on the Au(111) surface. The microscope has been used to study the adsorption of the simplest alkane thiol- CH3SH, observing the breaking of the S-H bond in this molecule, yielding a CH3S species. Remarkably, a Au adatom from the interior of the solid Au is involved in the surface bonding to produce CH3-S-Au-CH3 surface species. Also the disulfide, CH3SSCH3 can be used to make surface thiolate layers by scission of the S-S bond, and it will be shown how a free radical chain reaction occurs amongst self-assembled disulfide molecules on Au(111) and Au(001) surfaces. These observations of a chain reaction provide the first molecular details of this well-known reaction type since its discovery in the gas phase in the 1920's. 31 Monday March 29, 2010; 17:00 Surface Enhanced Raman Spectroscopy as Nanoscience Hassan Talaat Faculty of Science, Ain Shams University, Cairo, Egypt E-mail: hassantalaat@hotmail.com The discovery of surface enhanced Raman scattering (SERS) more than 30 years ago, of adsorbed molecules on rough Ag electrodes[1], has opened a new field that can be truly scribed as the first nanoscience [2]. In SERS the Raman spectra of molecules on specially prepared metal surfaces (nanoparticles) is observed to have intensity that exceeds by 5 to 14 orders of magnitude[3,4] what is excepted in the absence of these nanoparticles. Since the inception of SERS, the origin of such enhancement has been reasoned to electromagnetic ( EM )effect and to chemical ( charge transfer ) effect. The first, has been demonstrated to give the major part (up to 11 orders of magnitude ) of the enhancement , and is the result of highly concentrated EM fields associated with strong localized surface plasmon resonances (LSPR) at interstitial sites of the metal nanostructure surfaces with closely spaced features. The second effect generally results in a 2 or 3 order of magnitude [2] enhancement is not discussed in this presentation. Theoretical and computational studies have shown that LSPR enhancement depends critically on the size and specific geometry of the nanostructured metal particles as well as the separation between these particles. . In this work, gold nanoparticles of different shapes (spheres, nanorods, etched prisms, and sharp prisms)have been prepared using the seed mediated growth method to act as substrates for Raman measurements. Also array of regularly oriented gold nanoprisms were prepared using the nanosphere lithography (NSL), as well as electron beam lithography (EBL), have been used to study the effect of the interparticle distance on SERS. Our results demonstrate that the sharp prisms give the highest SERS enhancements, and that the variation of the enhancement is exponentially decreasing with increasing the interstitial distance between the nanoprisms. References [1] Fleischman,M.P.;Hendra,J.;McQuillan,A.Chem.Phys.Lett. 1974,26,163 66; Jeanmaire,D.L.;Van ,Duyne ,R.P.J. Electroanal.Chem.1977,84,120; Albrecht,M.G.;Creighton,J.A.J.Am.Chem. Soc.1977,99, 5215-5217. [2] Moskovits,M.J.RamanSpectrosc.2005,36,485. [3] Nie,S.;Emory,S.R.Science1997,275,1102-1106. [4] Kneipp,K.;Wang,Y.;Kneipp,H.;Itzkan,I.;Dasari,R.R.;Feld, M.S.Phys.Rev.Lett.1996,76,2444-2447. 32 ABSTRACTS Third Day Tuesday, March 30, 2010 SESSION-6 SUPPORTED METAL OXIDES 9:00 – 11:00 Lecture 1 Synthesis and Characterization of Highly-Dispersed, Supported Metal Oxide Catalysts Mark G. White Lecture 2 Selective Oxidation of Methanol to Formaldehyde over Molybdenum Oxide Supported on Nano-Hydroxyapatite Catalysts Abd El-Aziz Mohamed Said SESSION-7 NATURAL GAS & WATER-GAS SHIFT 11:30 – 13:30 Lecture 1 Oxidative Coupling of Natural Gas using Nano-Membrane Technology Magdy M. Nasrallah Lecture 2 Recent Developments in the Application of Nanoparticles of Differently Prepared Modified Metal Gold / Supported Catalysts for the Water Gas Shift Activity Rabee Gabr SESSION-8 PETROCHEMICAL CATALYSIS 16:00 – 18:00 Lecture 1 Petrochemicals Processing: Past Experience and Future Prospects Mohammed Elsokkary Lecture 2 A View on Catalysis in the Process Development Department in EPRI Kadri Abu El-Gheit 33 Tuesday March 30, 2010; 9:00 Synthesis and Characterization of Highly-Dispersed, Supported Metal Oxide Catalysts Mark G. White Dave C. Swalm School of Chemical Engineering Mississippi State University, Mississippi State, MS 39762-9595 E-mail: white@che.msstate.edu I. Description of the approach using polynuclear metal complexes as catalyst precursors a. Mechanisms for attaching metal complexes to oxide surfaces b. Influence of support surface chemistry upon the attachment mechanisms II. Types of metal complexes used a. Cationic metal complexes b. Neutral metal complexes III. Modeling the attachment of metal complexes to oxide supports a. Semi-empirical MO methods to predict equilibrium geometries b. Semi-empirical MO methods to predict IR of supported metal complexes IV. Characterizing the supported metal complexes a. Powder XRD b. FTIR of supported metal complexes, effect of loading c. Thermal decomposition of supported metal complexes d. Gravimetric adsorption of probe molecules e. Magnetic methods to characterize selected metal complexes on supports f. UV-Vis methods to characterize selected metal complexes on supports g. Characterization of supported metal complexes by EXAFS V. Use of decomposed metal complexes on support as adsorbents and catalysts a. Copper-based systems b. Vanadium-based systems c. Titanium-based systems d. Gold-based systems e. Mixed metal oxides as weak acids f. Supported MgO as a selective adsorbent for SO2 34 Tuesday March 30, 2010; 10:00 Selective Oxidation of Methanol to Formaldehyde Over Molybdenum Oxide Supported on Nano-Hydroxyapatite Catalysts Abd EL-Aziz A Said*, Mohamed M M Abd El-Wahab and Alian M. Alian Chemistry Department, Faculty of Science Assiut, University, Assiut, Egypt E-mail: a.a.said@aun.ed.eg Nano-hydroxyapatite -supported different ratios ofmolybdenum oxide (1 to 50 % w/w) were prepared by the impregnation method and calcinated at 400, 500, 600 and 700 oC in a static air atmosphere. The catalysts were characterized by thermogravimetry (TG), differential thermogravimetry (DTA), FT-IR spectroscopy, X-ray diffraction (XRD), and nitrogen sorption measurements. The surface acidity and basicity of the catalyst was investigated by the dehydration-dehydrogenation of isopropanol pyridine and 2,6-dimethyl pyridine. The gas–phase oxidation of methanol to formaldehyde was carried out in a conventional fixed flow bed reactor. The obtained results clearly showed that hydroxyapatite–MoO3 systems were active and selective towards the formation of formaldehyde. 35 Tuesday March 30, 2010; 11:30 Oxidative Coupling of Natural Gas using Nano-Membrane Technology Magdy M. Nasrallah Department of Petroleum and Energy Engineering The American University in Cairo, Cairo, Egypt Email: magdinas@aucegypt.edu & Jasmine Abdel Raouf Department of Chemical Engineering, Cairo University, Giza, Egypt Natural gas, containing primarily (>95%) methane, is a resource that rivals liquid petroleum in abundance. With inevitable depletion of liquid petroleum and a concomitant increase in natural gas reserves, it is expected that methane will eventually become a major resource for chemicals and liquid fuels. Both direct and indirect routes have been studied for Methane convertion. The indirect route relies on production of synthesis gas (H2 and CO mixture) by steam reforming or partial oxidative reaction of methane, followed by conversion of the synthesis gas to higher hydrocarbons by Fischer Tropsch process. The representative method in the direct route is oxidative coupling of methane (OCM) to ethane and ethylene, a feedstock for synthesis of liquid fuels or a large number of synthetic materials. In OCM, CH4 and O2 react over a catalyst, mostly oxides, at elevated temperatures to form C2 products (ethane and ethylene). However, the reaction often leads to the formation of the thermodynamically more favored CO2. It is generally agreed that OCM on an oxide catalyst follows a unique heterogeneous-homogeneous reaction mechanism: methyl radicals are generated on the solid surface and coupled to form C2 in the gas phase. The CO2 is formed by oxidizing carbon containing species mostly in the gas phase, and possibly also on the catalyst surface. The inherent problem is that oxygen required for OCM can react with CH4 and C2 products to form CO2 and a higher selectivity is always compromised with a lower C2 yield on all catalysts to about 25% which is lower than the economically attractive C2 yield threshold (30%). Nanotechnology has been proposed for membrane development with the objective of optimizing charge transport and enhancing OCM for optimum transformation to higher hydrocarbons and liquefaction. Among numerous perovskite–type oxides studied, La1-xSrxCo1-yFeyO3-d (LSCF) series, have attracted increasing attentions. The principal investigator published numerous papers related to the LSCF-type perovskite applications. This work exploits nano membrane materials of the LSCF type oxides with particle size ranging from 15 to 20 nm. These features resulted in the attractive improvement of performance. Nano scale structures have received significant attention, the properties can change by the size because of quantum effect when the size is reduced to nanometer level. The decrease of the size is also expected to enhance the catalytic activity, due to the resulting increase of the total surface area and active sites with unsaturated bonding. A parametric study is carried out in an attempt to investigate the effect of the nano structure on the defect concentration, 36 oxygen vacancies, and the flux of oxygen through the membrane. Also, its affect on the kinetics, the rate, the selectivity, and the yield of the OCM reactions will be addressed. 37 Tuesday March 30, 2010; 12:30 Recent Developments in the Application of the Nanoparticles of Differently Prepared Modified Metal Gold /Supported Catalysts for the Water Gas Shift Activity Rabei M. Gabr Chemistry Department, Assiut University, Assiut, Egypt E-mail: madmodie1982@yahoo.com, mohammed.accountonline@gmail.com The Water gas Shift (WGS) reaction (H2O+CO!H2+CO) is an important step in a number of chemical processes for the production of H2.Athough the WGS technology is well established and widely used in large scale steady-state operation, such as hydrogen or ammonia plants, the interest for the WGS reaction has been growing significantly in the last years, as a result of the important advance in fuel cell technology. In addition, the (WGS) reaction is a historic reaction system. It plays a pivotal role in various industrial fields such as steam reforming of methanol, ammonia synthesis and conversion of syngas into a variety of important chemicals. Moreover; the promotion of WGS activity are of the main roles played by different metal/support catalyst in the automobile three-way catalysts, due to its ability to enlarge fast reduction/oxidation cycles. The main actor in a catalytic process is the catalyst which often consists of small metal particles dispersed on an inert support. The metal particles are the key components of the catalyst. The activity of the catalyst will generally depend on the size of metal particles, where a catalyst with small particles will give high activity due to the large number of atoms available on the metal particles surfaces. The water gas shift (WGS) activity of different metals/support catalysts has been studied. Two different techniques were used for the preparation of the catalyst- deposition-precipitation and modified version of deposition- precipitation. The affect of different synthesis procedures on the WGS activity has been followed using HRTEM combined with EDS, X-ray diffraction and FT-IR In order to examine the molecules involved in the forward as well as the reverse WGS reactions. The elucidation of reaction mechanism is a challenge to develop highly active and stable low-temperature shift catalysts. 38 Tuesday March 30, 2010; 16:00 Petrochemicals Processing: Past Experience and Future Prospects M. Elsokkary Petrochemicals Division, Egyptian Petroleum Research Institute (EPRI) Cairo, Egypt E-mail: elsukkary@hotmail.com The presentation deals with historical background of the petrochemical industry and its present situation. The petrochemicals Feedstock and Products will be discussed. Petrochemical Processes including Basic Processes, such as Steam Cracking and reforming are illustrated. Production Costs, (Capital costs, Operating Costs) and Added Value are other objectives for the presentation. Growth in Petrochemicals Past Experience; Future Prospects will be present with details. Illustrative Petrochemical Technology Roadmap (2000-2025) is presented in different stages. Stage1: Renewal, Stage2: Alternate feed stocks and Stage3: New chemistries. Egypt's Petrochemical Master Plan (2002-2022) Objectives and outlines will be elaborated. 39 Tuesday March 30, 2010; 17:00 A View on Catalysis in the Process Development Department in EPRI Ahmed Kadry Aboul-Gheit Catalysis Division, Egyptian Petroleum Research Institute (EPRI) Cairo, Egypt E-mail: aboulgheit@hotmail.com Nominally, a catalyst is any substance which participates in a chemical reaction and causes its rate acceleration, but which can (in principle) be recovered in its original form afterthe reaction, to be reused. Catalysts are traditionally classified into two categories: homogeneous and heterogeneous, depending on whether or not they are soluble. However, practical catalysts are solid, e.g, metals, metal oxides (supported or unsupported), etc. Heterogeneous catalysis cannot yet be described as a truly predictive science. Hence, more fundamental knowledge about the intrinsic nature of active sites is critical to the rational development of better catalysts. There is first a need to define and then control the atomic structure of the active sites, which involves the preparation of materials with well-defined architectures on length scales somewhat longer than the molecular. In addition, a materials science revolution is in progress and methods for the preparation and characterization of macroscopic materials and prediction of their properties have now been realized. Recently, we started work on the preparation and characterization of thin film nano- catalysts in the form of coatings on glass sheets to be used as catalysts for the photodegradation of chlorophenols, or polyaromatic hydrocarbons in water. Three papers were published; one in 2008 and two in 2009. I supervised 3 thesis in this field (2006-2008). Furthermore, we prepared a nano-platinum supported on Zeolites to be used as catalysts for the hydroisomerization of n-paraffins in petroleum light naphtha to produce high octane gasoline. Also, we published two papers (2008, 2009) on natural gas direct conversion to petrochemicals using metal oxides on zeolite support. 40 Tuesday March 30, 2010; 20:00 After Dinner Talk Ethics of Scientific Publication: How to Write an Effective Scientific Paper Prashant V. Kamat Department of Chemistry and Biochemistry, Department of Chemical and Biomolecular Engineering, and Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556 E-mail: pkamat@nd.edu Sharing scientific knowledge through publications is an integral part of research career. Since more and more organizations evaluate scientific productivity by scholarly publication rates, the concern regarding research ethics becomes an important issue. The lecture will address following questions. What are common practices of publishing scientific work? What is scientific misconduct? What are common misconceptions? How to make your next paper an effective publication? Please download a copy of the paper “On Being a Scientist” –available free (One copy of for each person) from U.S. National Academy Press. http://www.nap.edu/catalog/12192.html 41 ABSTRACTS Forth Day Wednesday, March 31, 2010 SESSION-9 NANOMATERIALS FOR ENERGY & ENVIRONMENT-1 9:00 – 11:00 Lecture 1 Carbon Nanostructures for Energy Conversion Prashant V. Kamat Lecture 2 Effect of Preparation Parameters on the Properties of TiO2 Nanoparticles for Dye Sensitized Solar Cells Abd El-Hady Besheir Kashyout SESSION-10 NANOMATERIALS FOR ENERGY & ENVIRONMENT-2 11:30 – 13:30 Lecture 1 Nanomaterials in Environmental Processes Vicki Grassian Lecture 2 Fundamental Aspects of Photochemistry on TiO2 Surfaces-Using Sunlight for Environmental Remediation John T Yates, Jr. SESSION-11 NANOMATERIALS FOR ENERGY APPLICATIONS 16:00 – 18:00 Lecture 1 Plasmonic-Semiconductor Hybrid Nanostructures for Photo-Electronic Device Fabrication Mona Bakr Mohamed Lecture 2 Design and In-situ Measurements of Catalytic Conversion and Electrochemical-Energy- Storage Materials: A Bright Future for Synchrotron-based Energy Science Faisal M. Alamgir 42 Wednesday March 31, 2010; 9:00 Carbon Nanostructures for Energy Conversion Prashant V. Kamat Department of Chemistry and Biochemistry, Department of Chemical and Biomolecular Engineering, and Radiation Laboratory, University of Notre Dame, Notre Dame, IN 46556 E-mail: pkamat@nd.edu Carbon nanostructures (single wall carbon nanotubes and graphene) are well suited as scaffolds to collect electrons from excited semiconductor nanocrystals (CdSe quantum dots) and transport them to the conducting electrode surface. 1-D architectures provide the directionality for electron transport and reduce charge recombination pathways at the grain boundaries (Scheme 1). The charge separation between excited CdSe semiconductor quantum dots and stacked-cup carbon nanotubes (SCCNT) has been successfully tapped to generate photocurrent in a quantum dot sensitized solar cell (QDSC). The ability of carbon nanotubes and grahene oxide to collect and transport electrons from excited semiconductor anoparticles has been established from photocurrent and spectroscopy measurements. Composites of semiconductor nanoparticles carbon nanostructures have the potential to develop effective light energy harvesting strategies. Scheme 1. 43 Wednesday March 31, 2010; 10:00 Effect of Preparation Parameters on the Properties of TiO2 Nanoparticles for Dye Sensitized Solar Cells A. B. Kashyout*, M. Soliman1 and M. Fathy Advanced Technology and New Materials Research Institute Mubarak City for Scientific Research and Technology Applications (MuCSAT) New Borg El-Arab City, P.O. Box 21934, Alexandria, Egypt E-mail: akashyout@mucsat.sci.eg 1Institute of Graduate Studies and Research, Alexandria University 163 Horrya Avenue, P.O. Box 832, Shatby, 21526 Alexandria, Egypt Nano-sized TiO2 powders have been prepared by sol-gel method. Influence of the different preparation parameters on the TiO2 nano-powder properties was investigated. Thermal gravemetric analysis (TGA) was used to examine the thermal properties of the produced TiO2 nanoparticles. Yield efficiency of the resulted nanoparticles was calculated and the reaction effciencey was estimated. Maximun effciency of 98.9% was achieved at autoclaving temperature of 245 ºC for time duration of 12 hrs. X-ray diffraction analyses show the presence of anatase structure at low and high autoclaving temperatures. Fraction of rutile phase appeared with increasing the calcination temperature and reach 40% at 850 ºC. High resolution transmission electron micsoscopy (HRTEM) showed spherical nanoparticles of 8-9 nm at autoclaving temperature of 130 ºC, while elongated nanoparticles of 14-18 nm in length and 9 nm in width were observed at autoclaving temperature of 245 ºC. The solar cell performance was measured for various TiO2 dye sensitized solar cells. The sample of high autoclaving temperature gave an improvement in efficiency to be 8.5 % while those of lower autoclaving temperature had an effieiency of 7.29 %. An enhancement in both open circuit voltage (Voc) and fill factor (FF) is obviously detected, where elongated nanoparticles are measured by HRTEM, which could improve the electrnonic conductivity and consequently FF and Voc. 44 Wednesday March 31, 2010; 11:30 Nanomaterials in Environmental Processes Vicki H. Grassian Departments of Chemistry & Chemical and Biochemical Engineering University of Iowa, Iowa City, IA 52242-1294 E-mail: vicki-grassian@uiowa.edu Both natural and engineered oxide nanomaterials play important roles in environmental processes. In the case of engineered nanomaterials, e.g. nanocyrstalline zeolites which have high external and internal surface areas, the properties can be tailored for a number of different environmental applications including deNOx catalysis and carbon dioxide removal and conversion. For naturally occurring oxide nanomaterials, e.g. iron oxides, the sizedependent properties and surface chemistry will impact biogeochemical cycles. In this talk, some specific examples of the size-dependent properties and surface chemistry of both natural and engineered oxide nanomaterials in environmental processes will be discussed. 45 Wednesday March 31, 2010; 12:30 Fundamental Aspects of Photochemistry on TiO2 Surfaces- Using Sunlight for Environmental Remediation John T. Yates, Jr. Department of Chemistry University of Virginia, Charlottesville, VA 22904 E-mail: johnt@virginia.edu Titanium dioxide is widely used for the solar-driven photooxidation of environmental contaminants. This occurs by the excitation of electron-hole pairs in the TiO2 and by redox processes that then occur on the surfaces the charge carriers move to the surface. We have used the measurement of simple photochemical processes on a TiO2(110) single crystal surface to monitor the kinetics of electron-hole pair recombination inside the solid. In addition, defective Ti3+ interstitial ions in the TiO2 bulk have been monitored as they diffuse through the solid to the surface to react with adsorbed oxygen, and the kinetics of this diffusion process to grow TiOx layers on top of the surface has been studied. Such TiOx layers are important in controlling the activity of metal catalysts supported by TiO2. 46 Wednesday March 31, 2010; 16:00 Plasmonic-Semicondcutor Hybrid Nanostructures for Photo- Electronic Device Fabrications Mona B. Mohamed National Institute of Laser Enhanced Science (NILES) Cairo University, Giza, Egypt E-mail: mohamed_mona@hotmail.com Localized surface plasmons have been shown to provide substantial efficiency enhancement in photoelectric effects with a range of semiconducting materials and devices due to the scattering from metal nanoparticles near their localized plasmon resonance. This would enhance the light absorption and the photocurrent obtained in any PV and LED configuration. This talk will summarize the collective optical and electrical properties of Core-shell metal-semiconductor hybrid nanostructure and how these properties depend on the size, shape of the metallic core and semiconductor shell thickness. Different methods to fabricate metal-semiconductor hybrid structures will be discussed in details. This talk will also highlight the possibility of using these nanocomposites to fabricate quantum dot solar cell devices, LED and Lasers. 47 Wednesday March 31, 2010; 17:00 Design and In-situ Measurements of Catalytic Conversion and Electrochemical-Energy-Storage Materials: A Bright Future for Synchrotron-based Energy Science Faisal M. Alamgir Materials Science and Engineering Georgia Institute of Technology, Atlanta, GA 30332-0245 E-mail: faisal@mse.gatech.edu Two fundamental concerns in the development of novel materials are, first, the design of structure with atomic-scale precision in order to affect functionality, and second, the direct, realtime, measurement of that designed structure under operating conditions. Only a concerted effort along both of these fronts can reveal the fundamental aspects of the role of design on functionality. This is particularly true for the new generation of materials for energy harnessing and conversion where the size, shape and internal compositional architecture of functional materials are being manipulated in order to produce breakthroughs in energy science. On the design front, robust core-shell architectures are predicted to have significant effects in the catalysis, (electro/photo)catalysis, Li-battery electrochemistry and photovoltaics. We will look at the layer by layer growth of compositional architectures and discuss the effects of “core-shell” architectures on catalytic activity on the future of energy science. On the real-time measurement front we will look at the latest developments on synchrotron-based techniques. Due to the tunability of synchrotron X-rays species- specific information can be obtained using X-ray Absorption Spectroscopy (XAS) from nearly every known constituent element of energy-related materials. Using XAS, the chemical state and the local atomic structure from a material can be obtained from a single experiment. In addition, the high brightness, high coherence and short pulse trains allow synchrotron light to be used for species-specific, in-situ studies at high temporal and energy resolutions. We will look at examples of in-situ (and ex-situ) XAS measurements in the area of energy storage (Li-ion battery intercalation reactions), energy conversion (surface reactions on fuel-cell catalysts) and energy harvesting (catalytic H2 production from ethanol). 48 ABSTRACTS Fifth Day Thursday, April 1, 2010 SESSION-12 GOLD-BASED NANOCATALYSTS 9:00 – 11:00 Lecture 1 Confining Resonant Photons to the Nano-Gold Length Scale: The New Properties and Applications in Material Science, Nanobiology and Cancer Nano-Medicine Mostafa El-Sayed Lecture 2 Catalysis by Nanosized Gold: The Nature of the Active Site D. Wayne Goodman SESSION-13 IR CATALYSIS STUDIES 11:30 – 13:30 Lecture 1 Infrared Studies of Interest to Catalysis and Microelectronics Francisco Zaera Lecture 2 IR Observation of Adsorptive and Catalytic Interactions on Metal and Metal Oxide Surfaces Mohammed Ibrahim Zaki SESSION-14 PLASMONIC & HYBRID NANOSTRUCTURED MATERILAS 16:00 – 18:00 Lecture 1 Laser Vaporization Controlled Condensation for the Synthesis of Supported Nanoparticle Catalysts, Nanoalloys & Up-Converting Nanoparticles M. Samy El-Shall Lecture 2 An Integrated Approach using Spectroscopy, Microscopy and Particle Sizing Methods to Investigate Chemistry on the Nanoscale Vicki Grassian 49 Thursday April 1, 2010; 9:00 Confining Resonant Photons to the Nano-Gold Length Scale: The New Properties and Applications in Material Science, Nanobiology and Cancer Nano-Medicine Mostafa A. El-Sayed Laser Dynamics Laboratory, Georgia Institute of Technology Atlanta, GA 30332-0245, USA E-mail: mostafa.el-sayed@chemistry.gatech.edu New fields such as optoelectronics, sensors, nanocatalysis, nanomotors and nano- medicine use the new exciting properties1-3 of gold and silver nanoparticles. Some of the most exciting properties arise when resonant photons are captured by these nanoparticles of the right size and shape. This excites the localized surface plasmon oscillation resulting from the coherent excitation of the free electrons in the conduction band. This greatly enhances the electromagnetic fields of the captured photon on the surface of the nanoparticle which strongly enhances their Radiative properties as well as that of any electronic system that falls within the range of this field. The effect of the coupling between close nanoparticles change their color (used as nano-ruler)4, increase or decrease the Raman scattering intensity of adsorbed molecules5, enhance the nonradiative properties of near electronic systems like the relaxation of hot electrons in semiconductors6, the rate of exciton annihilation in conducting polymers7 or the rate of retinal photo-isomerization and proton pump in Bacterio-Rhodopsin photosynthesis8. The strong Radiative properties of gold nano- particles are used in imaging and the sensitive detection of cancer cells in vitro9 and in-vivo11. The strongly absorbed photon energy is rapidly converted intoheat. This localized heating of the gold nanoparticles can heat and destroy attached cancer (or sick) cells and is thus used in Vitro and in-Vivo cancer therapy10,11. Very recently, non-photo-thermal techniques of using gold nano-particles in Cancer Therapy have been developed.12 References 1. Burda, C.; Chen, X.; Narayanan, R.; El-Sayed, M.A., “The Chemistry and Properties of Nanocrystals of Different Shapes”, Chem. Rev. 105 (4), 1025-1102, (2005) (Invited Review Article). 2. Huang, X.l Neretina, S.; El-Sayed, M.A., Gold Nanorods: From Synthesis and Properties to Biological and Biomedical Applications. Advanced Materials, 21(48),4880–4910 (2009). (Invited review article) 3. Stephan Link, Mostafa A. El-Sayed, “Optical Properties and Ultrafast Dynamics of Metallic Nanocrystals”, Annual Review Phys. Chem., 54:331-66, (2003) Invited. 4. Prashant K. Jain, W.Huang, and M.A. El-Sayed, "On the universal scaling” Nano Letters, 7, 2080, (2007). 5. Mahmoud, M. A., El-Sayed, M.A., Aggregation of gold Nanoframes reduces, rather than enhances SERS efficiency due to the tradeoff of the inter- and intra particle plasmonic fields. Nano Letters, 9(8), 3025-3031(2009). 50 6. Svetlana Neretina, Wei Qian, Erik C. Dreaden, Robert A. Hughes, John S., Peter Mascher, Mostafa A. El-Sayed, "Plasmon Field Effects on the Nonradiative Relaxation of Hot Electrons in an Electronically Quantized System: CdTe-Au Core-Shell Nanowires," Nano Letters 8(8), 2410-2418 (2008) 7. Mahmoud, M. A, and Adam Poncheri, J. Am. Chem Soc., In press. 8. Arianna Biesso, Wei Qian, Mostafa A. El-Sayed, "Gold nanoparticle plasmonic effect on the retinal photoisomerisation and the proton pump in the photocycle of the other photosynthetic system in nature, bacteriorhodopsin," Journal of the American Chemical Society, 130(11), 3258-+, (2008); 131,2442, 2009 9. El-Sayed, Ivan; Huang, Xiaohua; El-Sayed, Mostafa A., “Surface Plasmon Resonance Scattering and Absorption of anti-EGFR Antibody Conjugated Gold Nanoparticles in Cancer Diagnostics; Applications in Oral Cancer,” Nano Letters 4(5), 829-834, (2005). (ISI hot paper) 10. Xiaohua Huang; Ivan H. El-Sayed; Wei Qian and Mostafa A. El-Sayed, “Cancer Cell Imaging and Photothermal Therapy in Near-Infrared Region by Using Gold Nanorods,” Journal of American Chem Soc., 128, 2115-2120, (2006). (the most cited paper in the field of chemistry, ISI, Oct-Dec 2007). 11. Erin B. Dickerson , Erik C. Dreaden , Xiaohua Huang , Ivan H. El-Sayed et al, Goldnanorod assisted nearinfrared plasmonic photothermal therapy of squamous cell carcinoma in mice” , Cancer Letters 269, 57-66 (2008). 12. Bin Kang, Meg Mackay and M. A. El-Sayed, J. Am. Chem. Soc, 2010, 132 (5), pp 1517– 1519. 51 Thursday April 1, 2010; 10:00 Catalysis by Nanosized Au: The Nature of the Active Site D. W. Goodman Department of Chemistry, Texas A&M University College Station, TX 77842-3012, USA E-mail: goodman@mail.chem.tamu.edu The special electronic, structural, and chemical properties of gold clusters supported on single crystalline titania surfaces have been detailed and contrasted with the corresponding properties of bulk gold. The gold clusters investigated vary in size from a few atoms to many. An array of surface techniques including reaction kinetics of carbon monoxide oxidation has been used to correlate catalytic function of these surfaces with their physical and electronic properties. Of special interest are the special physical and chemical properties that develop with metal cluster size reduction and/or metal-support interaction. 52 Thursday April 1, 2010; 11:30 Infrared Studies of Surfaces of Interest to Catalysis and Microelectronics Francisco Zaera Department of Chemistry University of California, Riverside, CA 92521, USA E-mail: zaera@ucr.edu Examples from our laboratory on applications of infrared spectroscopy to the characterization of surfaces of relevance to catalysis and microelectronics fabrication will be presented. Transmission IR absorption spectroscopy has been used to identify key intermediates on high-surface area solids relevant to catalysis as well as in film deposition processes, and also to characterize the oxidation state of supported metals via chemical titrations. Attenuated total reflection (ATR) setups have been used to investigate the anchoring of porphyrins on solid substrates for applications in the development of molecular memories, and also to establish the reaction mechanism of atomic layer deposition (ALD) processes. Reflection- Absorption IR spectroscopy (RAIRS) is employed to characterize key adsorbates, to determine adsorption geometries, and to titrate surface chemical sites. The RAIRS approach is often used to look at well-characterized single-crystal surfaces under ultrahigh vacuum conditions, but additional setups have been developed to also be able to interrogate gas-solid and liquid-solid interfaces in-situ. Our ability to investigate the liquid-solid interface has been particularly useful to probe the chiral modification of catalytic systems. 53 Thursday April 1, 2010; 12:30 IR Observation of Adsorptive and Catalytic Interactions on Metal and Metal Oxide Surfaces Mohamed I. Zaki Chemistry Department, Faculty of Science, Minia University, El-Minia 61519, Egypt E-mail: mizaki@link.net Catalysis is in large measure brought about by chemical perturbation of a reactant or reactants through interaction with the catalyst surface. At gas/solid interfaces the gas molecules colloid with the solid surface mostly inelastically. If the loss in energy is significant, the molecules may stick to the surface. On the surface the molecules may get physically adsorbed (weakly bound) and, thus, can still be able to wander about, or may become restricted to certain sites by chemical adsorption (strongly bound) and, consequently, get energetically perturbed and activated for a chemical change. The chemical change may be confined to a molecular dissociation into smaller species, or may be brought about by the involvement in a surface catalytic reaction of unimolecular or bimolecular kinetics. The talk should help presenting techniques and potential of in-situ Fourier-transform infrared spectroscopy in observing adsorptive and catalytic events at molecular level. Results obtained for interactions established at the interfaces of a number of reactive and irreactive probe molecules (including CO, pyridine, 2-propanol and methybutynol) with supported and unsupported metal (e.g., Rh and Ni) and metal oxide (MoOx, AlOx, CrOx, CeOx, ZrOx ..etc) catalysts will be used to reveal nature of adsorbed species, as well as various characteristics of adsorption sites (e.g., acid- base properties, coordination and oxidation states, and dispersion). Moreover, mathematical apparatus adopted in refining and analyzing the spectral data will be brought into prominence. 54 Thursday April 1, 2010; 16:00 Laser Vaporization Controlled Condensation for the Synthesis of Supported Catalysts, Nanoalloys & Up-Converting Nanoparticles M. Samy El-Shall Department of Chemistry, Virginia Commonwealth University Richmond, Virginia 23284, USA E-mail: mselshal@vcu.edu In this lecture, I will review the vapor phase synthesis of nanoparticles with a focus on the LVCC method.1-3 This method uniquely combines the features of pulsed laser vaporization with the controlled condensation process from the vapor phase under well-defined conditions of temperature and pressure.
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