Opportunities in Catalysis Research Using Synchrotron Radiation
Stanford Synchrotron Radiation Laboratory October 8-9, 2002 Organizer: Anders Nilsson

Chemical catalysis is one of the research areas of enormous importance for the industrial society. There are important challenges to be met in the near future where development of new processes and catalysts are a necessity. We need to find a way to make methanol from methane, split water into hydrogen using sunlight, find replacement of platinum metals, etc. The fundamental understanding of many catalytic processes is still emerging and there seems to be a new opportunity with the recent development in experimental and theoretical methods. The intention of workshop was to bring researchers from many different disciplines together to discuss how synchrotron radiation can be applied to address some fundamental questions in catalysis. There were three overview lectures on the scientific challenges and future direction in fundamental aspects of catalysis. Gabor Somorjai (UC Berkeley) presented a lecture on "Need for new direction of research at the frontiers of catalytic science", Jens Norskov (Technical University of Denmark) on "Heterogeneous catalysis-opportunities and challenges" and Claus Jacobsen (Haldor Topsö) on "New catalytic materials-from active sites to industrial processes". There were three overview lectures on synchrotron radiation based techniques. Anders Nilsson demonstrated how soft x-rays can be used for fundamental studies of model catalytic systems, Bjerne Clausen (Haldor Topsö) showed the usefulness of hard x-rays to characterize industrial catalysts and Uwe Bergmann (LBNL) pointed to new opportunities with novel applications of hard x-ray spectroscopy. Two lectures were devoted to the development of synchrotron radiation based experimental and theoretical methods to provide new tools of importance in catalytic research. Miquel Salmeron (LBNL) showed how a new differential pumped photoelectron spectroscopy system can provide in situ studies of surfaces under high pressure and Lars Pettersson (Stockholm University) demonstrated how theoretical simulation of x-ray spectra provide a unique molecular orbital picture of chemical bonding on surfaces. Two presentations were focused on oxide materials , Geoff Thornton (University of Manchester) on "Influence of defects on the reactivity of ZnO" and Robert Madix (Stanford University) on the "The dynamic surface". Vittal Yachandra (LBNL) gave a presentation on x-ray absorption spectroscopy applications to understand the structure of the Mn complex and the mechanism for oxidation of water in photosystem II. Presentations of x-ray absorption spectroscopy and x-ray scattering applications to catalytic material was given by Javier Guzman (UC Davies) on studies of supported gold catalysts and by Russel Chianelli (UT El Paso) on sulfide catalysts. The last presentation was given by Jim White (UT Austin) on the outcome of the recent DOE catalysis workshop held in Washington DC in May and the status of the written report. At the end of the workshop a long discussion took place on what role synchrotron radiation applications can have in a new initiative in catalysis. It was agreed that in order to have an important impact it is essential to provide in situ characterization under reaction conditions using all different techniques, both for model systems and industrial catalysts. The fundamental development of new emerging techniques needs to led by a devoted research group with a strong scientific interest whereas application of establish techniques can be organized by an efficient infrastructure provided by the facility.

Agenda Tuesday, October 8, 2002 Chair: Lars Petterson
1:30-1:40	Anders Nilsson Welcome
1:40-2:30	Gabor Somorjai University of California, Berkeley and LBNL Need for New Directions of Research at the Frontiers of Catalysis Science
2:30-3:00	Geoff Thornton University of Manchester Influence of Defects on the Reactivity of ZnO
3:00-3:30	Anders Nilsson Stanford Synchrotron Radiation Laboratory Soft X-ray Spectroscopy of Surfaces and Reactions
3:30-3:45	Break
Chair: Anders Nilsson
3:45-4:15	Lars Pettersson Stockholm University Adsorbate-Substrate Bonding: An Experimental and Theoretical MO Picture
4:15-4:45	Miquel Salmeron LBNL Photoelectron Spectroscopy Studies of Surfaces in High Pressure Gas Environments: Applications to Environmental and Catalysis Science
4:45-5:00	Discussion How important are model experiments for a fundamental understanding of catalysis? Can synchrotron radiation make an important contribution in the future?
5:00	Reception together with participants in other workshops

Wednesday, October 9, 2002 Chair: Miquel Salmeron
9:00-10:00	Jens Norskov Technical University of Denmark Heterogeneous Catalysis -- Opportunities and Challenges
10:00-10:30	Robert Madix Stanford University The Dynamic Surface
10:30-10:45	Break
Chair: Anders Nilsson
10:45-11:15	Uwe Bergmann LBNL Application of Novel Hard X-ray Spectroscopy to Transition Metal Systems
11:15-11:45	Vittal Yachandra LBNL How Plants Catalyze the Oxidation of Water to Oxygen
11:45-12:15	Claus Jacobsen Haldor Topsö New Catalytic Materials - from Active Sites to Industrial Processes
12:15-1:30	Lunch
Chair: Uwe Bergmann
1:30-2:00	Bjerne Clausen Haldor Topsö Structural Aspects of Industrial Catalysts
2:30-3:00	Javier Guzman University of California, Davis X-ray Absorption Spectroscopy Investigation of Highly Dispersed Supported Gold Catalysts
3:00-3:30	Russ Chianelli University of Texas at El Paso Advanced Synchrotron and Simulation Techniques Applied to Problems in Catalytic Materials Science
3:30-3:45	Break
3:45-4:15	Jim White University of Texas at Austin DOE Catalysis Workshop and Report
4:15-5:00	Discussion How can synchrotron radiation facilities contribute in fundamental catalytic research? Do we need different instrumentation for model experiments and catalyst characterization? Is it essential to have theoretical support?