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Pr. J. Giorgi

Centre for Catalysis Research and Innovation, Department of Chemistry and Biomolecular Sciences, University of Ottawa, 10 Marie Curie Prvt., Ottawa, Ontario, Canada. K1N 6N5
When

Feb 08, 2017 à 10:30 AM

Where

Grande salle cbp LR6

Contact

C. Michel

Adventures in surface science and catalysis:
A dialog between experiments and DFT

Catalysis has played a fundamental role in chemistry and industry for many years. The next challenges are in the creation of a clean and sustainable world. In this presentation I will discuss two catalytic systems where insight contributes to this goal.

The first example relates to the transformation of biomass into useful compounds with applications in a large range of industries. Fundamental questions regarding the conversion of lignin (primary wood component) into valuable compounds are addressed. We are investigating the reactivity of simple lignin models such as 2-phenoxyethanol and anisole with Pt metal surfaces in order to compare the facility of the C-H vs. C-O vs. C-C bond cleavage. In the present work, we have chosen Pt(111) as the catalyst to study several decomposition pathways to determine the preferential conditions for each reaction. Experimental and computational approaches are brought to bear to identify reaction pathways and intermediates.

In the second example, formic acid is considered as a chemical vector in energy storage, being able to effectively store and produce hydrogen fuel for energy generation. Compared to other hydrogen vectors formic acid is non-toxic, easy to handle and store, and has an energy density comparable to liquid hydrogen. In order for formic acid to be used as a hydrogen vector, the decomposition must be efficient and highly selective to the dehydrogenation pathway (as opposed to dehydration). This study explores the possibility of Cobalt as a catalyst for the (potentially) selective dehydrogenation reaction. A fundamental approach is taken to study this reactive system using Co(0001) as catalyst. Although selectivity is not as high as one would like, we shed light into the competing reaction mechanism and their associated energy requirements.