Spectroscopic Elucidation of Cu and Fe Active Sites in Zeolites

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Methane, by far the largest component of natural gas, is one of the most abundant fossil fuel resources, but it remains underutilized due to costs and dangers associated with transporting liquefied natural gas. This problem could be resolved by converting methane into methanol, an environmentally friendly liquid fuel that has been identified as the most promising application for natural gas in the transportation sector. The industrial-scale methane/methanol conversion in use today is energy intensive, however, requiring multiple steps at high temperatures and pressures to overcome the inherently low reactivity of methane. For methanol fuel derived from natural gas to be cost-effective, a more efficient method is required. With funding from the Chemical Catalysis Program of the Chemistry Division, Professor Solomon of Stanford University is studying a class of materials called zeolites that perform this challenging chemistry. Professor Solomon's research is revealing how these materials operate on the molecular level. This insight is important for understanding how to design improved catalysts for methane/methanol conversion, as well as other economically significant reactions. Professor Solomon's research is also coupled to outreach activities that serve K-12 students in the areas surrounding Stanford University. This includes developing a shadowing program that brings high school students in to experience research laboratories at Stanford.This project builds on Professor Solomon's current spectroscopic and computational studies of Fe and Cu zeolites, including their geometric/electronic structures, reactivity in selective hydrocarbon oxidation, and their correlation to Fe and Cu enzymes. It also extends this effort to metallozeolites that perform selective catalytic reduction (SCR) of NOx pollutants. These studies are providing detailed insight into reaction mechanisms, defining structural contributions to active site formation, as well as general principles of reactivity. The resulting insight may lead to improved catalysts for a number of economically significant chemical transformations, including the conversion of natural gas to CH3OH fuel, and the abatement of NOx pollutants generated by diesel engines. This proposal involves significant international collaboration, and Professor Solomon is involved in a number of directions to enhance knowledge in physical inorganic chemistry and spectroscopy. Professor Solomon's group has also taken a leadership role in outreach to local K-12 schools, including developing a shadowing program that brings high school students in to experience research laboratories at Stanford.