Thermodynamics and kinetics of elementary reaction steps on late transition metal catalysts, and using them to search for better catalysts

Meeting Program – November 2013

 
Charles T. Campbell
Departments of Chemistry and of Chemical Engineering
University of Washington
Seattle, WA 98195-1700

 
Abstract – A survey of experimental and theoretical results concerning the thermodynamics and kinetics of surface chemical reactions of importance in late transition metal catalysis for energy technology will be presented. Topics include: (1) calorimetric measurements of the adsorption energies of small molecules and molecular fragments on single crystal surfaces, and their comparison to DFT results; (2) new measurements of the entropies of adsorbates and the trends they follow, and (3) new ways to estimate prefactors in the rate constants for elementary steps in surface reactions. We will also discuss how to use these together with DFT calculations and/or elementary-step rate measurements to build microkinetic models for multi-step catalytic reactions. Finally, we will discuss a method for analyzing these to quantify the extent to which each elementary step and intermediate controls the net rate, and describe how one can use this to define the key descriptors that can be used for computational searches to discover better catalyst materials.
 
Charles_Campbell2-1024x853Biography – Charles T. Campbell is the Rabinovitch Endowed Chair in Chemistry at the University of Washington, where he is also Adjunct Professor of Chemical Engineering and of Physics. He is the author of over 270 publications on surface chemistry, catalysis and biosensing. He is an elected Fellow of both the ACS and the AAAS, and Member of the Washington State Academy of Sciences. He received the Arthur W. Adamson Award of the ACS and the ACS Award for Colloid or Surface Chemistry, the Gerhard Ertl Lecture Award, the Robert Burwell Award/Lectureship of the North American Catalysis Society, the Ipatieff Lectureship at Northwestern University and an Alexander von Humboldt Research Award. He served as Chair, Chair-Elect, Vice-Chair and Treasurer of the Colloid and Surface Chemistry Division of the ACS. He served as founding Co-Director and Director of the University of Washington’s Center for NanoTechnology, and as Editor-in-Chief of the journal Surface Science for ten years. He is currently Editor-in-Chief of Surface Science Reports, and serves on the Editorial Boards of the Journal of Physical Chemistry and Catalysis Reviews and the Scientific Advisory Board of Catalysis Letters and Topics in Catalysis. He received his B.S. in Chemical Engineering (1975) and his Ph.D. in Physical Chemistry (1979, under J. M. White) from the University of Texas at Austin, and then did research in Germany under Gerhard Ertl (2007 Nobel Prize Winner) through 1980.