(144b) Thermodynamics and Kinetics of Elementary Reaction Steps on Late Transition Metal Catalysts

Experimental and theoretical results concerning the thermodynamics and kinetics of surface chemical reactions of importance in late transition metal catalysis will be reviewed.  Topics include:  (1) calorimetric measurements of the adsorption energies of small molecules and molecular fragments on single crystal surfaces, and their comparison to different DFT methods; (2) measurements of the entropies of adsorbates and their trends, (3) using these together with elementary-step rate measurements to build microkinetic models for multi-step catalytic reactions, and a method for analyzing these that quantifies the extent to which each elementary step and intermediate controls the net rate; 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 sintering rates.

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