Conference paper

Appeared in: High Performance Computing in Science and Engineering, Munich 2002

Editor list: Wagner, S; Bode, A; Hanke, W; Durst, F

Publication year: 2003

Pages: 177-187

ISBN: 978-3-642-62446-9

eISBN: 978-3-642-55526-8

DOI Link: https://doi.org/10.1007/978-3-642-55526-8_15

Conference: 1st Joint HLRB and KONWIHR Status and Result Workshop

Abstract: 

The Council for Competitiveness in Washington D.C. classifies catalysis as one of the technologies that is critical to international competitiveness of the U.S. economy. Due to the strong chemical industry in Germany this statement is equally valid for the German economy. So far, efficient catalysts are designed by chemical and engineer’s intuition. However, the development of future and more efficient catalysts is considered to rely on atomic-scale tailored materials. To accomplish this goal a close cooperation between experimentalist, theorists as well as engineers is mandatory. It requires first of all a detailed microscopic description of catalytic reactions on the atomic scale as it is accessible by large-scale density-functional calculations. During the past few years, this concept has been pursued by the Topsoe company in collaboration with the universities in Lyngby and Aarhus.

Harvard Citation style: Seitsonen, A. and Over, H. (2003) Ruthenium Dioxide, a Versatile Oxidation Catalyst: First Principles Analysis, in Wagner, S., Bode, A., Hanke, W. and Durst, F. (eds.) High Performance Computing in Science and Engineering, Munich 2002. Berlin: Springer-Verlag. pp. 177-187. https://doi.org/10.1007/978-3-642-55526-8_15

APA Citation style: Seitsonen, A., & Over, H. (2003). Ruthenium Dioxide, a Versatile Oxidation Catalyst: First Principles Analysis. In Wagner, S., Bode, A., Hanke, W., & Durst, F. (Eds.), High Performance Computing in Science and Engineering, Munich 2002. (pp. 177-187). Springer-Verlag. https://doi.org/10.1007/978-3-642-55526-8_15