Organisation: Prof. Dr. Katharina Al-Shamery (Oldenburg), Prof. Dr. Christof Wöll (Bochum)

 

89th International Bunsen Discussion Meeting

 

"Chemical processes at oxide surfaces: from experiment to theory"

 

Meschede, June 15-17, 2005

 

Metal oxides are omnipresent and thus attract considerable attention with regard to various technologically important aspects. Presently, the most important applications are related to heterogeneous catalysis. A necessary – but not necessarily sufficient – condition for unravelling the fundamental principles in this complex field is to analyze in detail chemical reactions taking place at oxide surfaces. Unfortunately, the experimental investigation of this class of materials represents a formidable problem since their surfaces often exhibit a large density of defects and are not easy to prepare. From a theoretical point of view the investigation of these systems is a demanding problem, too, since very often the theoretical modeling of these systems is complicated by electrostatic instabilities in the calculations arising from the charged nature of the ionic species.

In the last few years the understanding of oxide surface properties has improved significantly, mainly because of major advances in the theoretical methodology. In addition, the application of novel experimental techniques to study ionic surfaces has provided new information. For example, a systematic investigation of hydrogen atoms on single crystal oxide surfaces, a species very crucial to determining the oxide surface chemical properties, has only recently become possible. Also with regard to the reaction of simple molecules on oxide surfaces recently a general consensus appears to emerge from the theoretical and experimental results for the geometric and electronic structure of oxide surfaces. Particularly striking is the advance which has been achieved with the materials ZnO and TiO2. We foresee that in the next few years we will be able to provide a consistent description of the adsorption and reaction of surface species leading to a full understanding of chemical processes at these surfaces based on first principles. Thus, bridging the materials and pressure gap to oxidic catalysts used at high pressures will be feasible.

The 89th Bunsenkolloquium will bring together scientists active in theory, surface science, inorganic chemistry and chemical engineering to jointly discuss the current most pressing questions in this field. The international conference will take place from June 15th to June 17th, 2005. The conference language is English. We expect between 80 and 100 attendees. There will be invited presentations by international specialists as well as contributed talks. At two evenings we will arrange for poster sessions.

 

THE MAIN FOCUS OF THE MEETING WILL BE ON THE FOLLOWING SUBJECTS:

 

·         Theoretical description of the adsorption of molecules and metal particles on different metal oxide surfaces. This research will include perfectly ordered surfaces (single crystals) as well as "model" defects.

·         Experimental investigations on the geometric and electronic structure of oxide surfaces and adsorbed particles.

·         Kinetic studies with regard to the reaction dynamics on oxide surfaces. Again the surfaces of single crystals are of interest as well as surfaces of powders (microkinetic analysis). Particularly important will be the matching of reaction dynamics determined from research on single crystal surfaces with kinetic results obtained from reactor studies with the corresponding oxide powders.

 

Textfeld: PRELIMINARY LIST OF SPEAKERS:

 

G. Kresse (Wien), R. Catlow (London), B. Meyer (Bochum), B. Hammer (Denmark), F. Traeger (Bochum), U. Diebold (Tulane), G. Thornton (London), O. Hinrichsen (Bochum), M. Muhler (Bochum), F. Schüth (Mülheim), B. Clausen (Topsoe, Denmark), F. Boccuzzi (Turin), W. Grünert (Bochum), V. Staemmler (Bochum), K. Reuter (Berlin), R. Fischer (Bochum), M. Drieß (Bochum)

 

The meeting will consist of a well balanced number of contributions from theoretical and experimental research. An important contribution from inorganic chemistry is expected; there are several groups who have a strong interest in the deposition of metals on the surface of oxide powders and the synthesis of molecular models for active sites.

The meeting will take place at the Hotel Hennesee Residenz, Berghausen 14, D 59872 Meschede (www.traum-hotel.de). The hotel is situated nearby the lake Hennesee in the northern part of North-Rhine Westfalia and represent an ideal location for a small conference.

 

Meschede can be reached by German Rail (traveling time from Dortmund 1 h, Düsseldorf airport: 2 h, Frankfurt airport: 3.5 h) and by car.

 

Further travel information will be provided on the homepage of the Sonderforschungsbereich SFB 558 (www.SFB558.de).