BESH2002 Catalysis and Electrocatalysis for Fuel Synthesis: Hydrogen Production and the Water-Gas Shift

The water-gas shift reaction (WGS: CO + H2O  H2 + CO2) is a critical process in providing pure hydrogen for fuel cells and other applications. Improved air-tolerant, cost-effective WGS catalysts for lower temperature processing are needed. Ceria-, titaniaand molybdena-based catalysts are expected to be the next generation of WGS catalysts for industrial applications. The design and optimization of these WGS catalysts depends on a better understanding of their structures and functions. This project involves a coordinated research program to understand the active sites and reaction mechanism for the WGS on these promising metal/oxide catalysts. Our goal is to develop the ability to predict, and ultimately design, improved cost-effective WGS low temperature catalysts. Our approach exploits a uniquely powerful combination of synthetic and characterization methods for both model systems and industrially relevant powder catalysts. It utilizes unique capabilities for in situ studies using time-resolved X-ray diffraction (XRD), X-ray absorption spectroscopy, photoemission, infrared spectroscopy, and transmission electron microscopy (TEM). Most experiments are closely coupled to theoretical studies on the chemisorption of the reactants, the stability of possible intermediates, and activation barriers for elementary reaction steps, providing critical guidance in developing a complete picture of the links between catalyst structure and reaction mechanism in this important process for the production of pure hydrogen.