Presented By: Chemical Engineering
ChE Seminar Series: Charles Campbell
Thermodynamcs and kinetics of elementary reaction steps on late transition metal surfaces
Charles Campbell is Professor and B. Seymour Rabinovitch Endowed Chair in Chemistry and an
Adjunct Professor of Chemical Engineering at the University of Washington, Seattle
ABSTRACT
Late transition metal surfaces catalyze a wide variety of industrially important reactions. 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 transition metal surfaces, and their comparison to different DFT methods; (2) a new method based on DFT that more accurately estimates adsorbate energies on metals than any existing DFT functional; (3) measurements of the entropies of adsorbates and their trends; (4) a new method for estimating adsorbate entropies and prefactors for surface reaction rate constants that accurately treats the full range of adsorbate statistical behaviors between the ideal 2D lattice gas and the ideal 2D gas limits; and, (5) measurements of the energies of transition metal atoms adsorbed on single crystal oxide supports, and in nanoparticles on oxide supports as a function of particle size and support.
Work supported by NSF and DOE-OBES Chemical Sciences Division.
Adjunct Professor of Chemical Engineering at the University of Washington, Seattle
ABSTRACT
Late transition metal surfaces catalyze a wide variety of industrially important reactions. 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 transition metal surfaces, and their comparison to different DFT methods; (2) a new method based on DFT that more accurately estimates adsorbate energies on metals than any existing DFT functional; (3) measurements of the entropies of adsorbates and their trends; (4) a new method for estimating adsorbate entropies and prefactors for surface reaction rate constants that accurately treats the full range of adsorbate statistical behaviors between the ideal 2D lattice gas and the ideal 2D gas limits; and, (5) measurements of the energies of transition metal atoms adsorbed on single crystal oxide supports, and in nanoparticles on oxide supports as a function of particle size and support.
Work supported by NSF and DOE-OBES Chemical Sciences Division.
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