Séminaire CINaM - 21 février 2017 - 14h00 - Salle R. Kern - Luminy - Marseille

Séminaire CINaM - mardi 21 février 2017 - 14h00 - Salle R. Kern - Luminy - Marseille

Fundamental approaches to understanding transition metal catalysts: toward improved catalyst design par Charlie CAMPBELL (Departments of Chemistry and of Chemical Engineering Univ of Washington, SEATTLE, USA)

Experimental and theoretical results concerning the energetics and kinetics of surface chemical reactions of importance in late transition metal catalysis will be reviewed. Topics include: (1) measurements of the adsorption energies of small molecules and molecular fragments on single crystal surfaces, and their use in improving density functional theory (DFT); (2) best approaches for building microkinetic models for multi-step catalytic reactions based on elementary-step energetics, (3) a method for analyzing microkinetic models that can be used with DFT to optimize reactions conditions and catalytic materials, and, (4) measurements of the energies of transition metal atoms in nanoparticle catalysts as a function of particle size and support, which correlate with catalytic activity and catalyst deactivation rates, and give ideas for better catalysts.

Work supported by NSF and DOE-OBES Chemical Sciences Division.