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Topics and thesis:
- Development of a methodology for the analysis of structure-activity relations in heterogeneous
catalysis
- Effect of the catalyst structure on reactivity and selectivity is at present neglected in
state-ofthe-art microkinetic analysis
- Multiscale analysis based on structuredependent microkinetic modelling is essential for a
detailed mechanistic understanding of catalyst functionality
- Novel experimental tools and first-principles analysis
- Application to selected examples in the context of CH4 activation and NO oxidation
Preliminary
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