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Ru@Pt Nanoparticles

First-principles guided synthesis of highly active Ru@Pt nanoparticle catalysts for preferential oxidation (PROX) of CO in H2.

For more information, see:
Nature Materials 7, 333, 2008.


The Computational Surface Science and Catalysis (CSSC) Group is a part of the Department of Chemical and Biological Engineering of the University of Wisconsin at Madison . Our group's focus is on first-principles investigations of surface science phenomena. We use first-principles electronic structure calculations in conjunction with massively parallel computing to find the optimal geometries and energetics of adsorbates on transition metal surfaces. Our goals are to acquire a detailed understanding of the kinetics and thermodynamics of adsorbate behavior on transition metals and semiconductors and to apply this knowledge to the design of new catalysts and semiconductors.

 

 

 

CBE UW-Madison