Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5424230 | Surface Science | 2009 | 7 Pages |
We briefly summarize our joint effort to understand catalytic reactions on the model catalyst RuO2(1Â 1Â 0) on the atomic scale, applying state-of-the-art density functional theory calculations and surface chemical characterizations in parallel. This intimate theory/experiment interplay allows us to gain new and deep insights into a catalytic system under investigation and to save recourses such as experimental and computing time as well as (wo)man power. Here we illustrate the utility of this intimate theory/experiment approach with a variety of recent examples related to the extraordinary activity of RuO2. The identification of RuO2(1Â 1Â 0) as the catalytically active state in the oxidation of CO on Ru(0Â 0Â 0Â 1) (Science 287 (2000) 1474) triggered a paradigm shift in model catalysis from the view of a rigid catalyst towards a structural and chemically flexible catalyst which adapts itself to the reaction conditions.