Our Research
Plants use solar energy to convert carbon dioxide into sugar, a fuel that plants and animals can use to generate energy later. Artificial photosynthesis uses solar energy to make energy-rich molecules that can be later burned or used in a fuel cell to produce energy. Extensive amounts of research have focused on converting water into hydrogen gas as an energy storage molecule. My first research project focuses on this reaction. My second project is to make hydrogen peroxide from water and oxygen using solar energy. Hydrogen peroxide can be used as a clean fuel, this research has led us to develop photocatalysts for aerobic oxidation reactions. All of my research projects use computational chemistry in conjunction with experiments. I use computational chemistry both to direct my research efforts, as well as use it as a tool to better understand experimental results.
Aerobic Oxidation and Hydrogen Peroxide Production
The central hypothesis of this project is that compounds containing the element tellurium can be used as photocatalysts for the production of hydrogen peroxide from oxygen and water. We have been studying the unique and reversible oxidation chemistry of tellurium compounds that suggest they can be used as catalysts for this application. We have produced hydrogen peroxide using tellurium compounds, oxygen, water and light. When the tellurium atom in the compound reacts with oxygen one equivalent of hydrogen peroxide is formed. Furthermore, the reaction produces a new compound called a telluroxide that can act as an oxidant. Our future directions are to develop photo/electrochemical oxidation and reduction pathways for the tellurium catalysts to produce hydrogen peroxide, and to develop earth abundant catalysts for hydrogen peroxide production.
Nickel Catalysts for Hydrogen Production
We use a combination of computational and experimental approaches to study a nickel pyridine thiolate catalyst for proton reduction. This catalyst can function as both an electrochemical and photochemical catalyst. Through computational chemistry we have found that isomers can be formed in various steps of the catalytic cycle. Using computational results we have elucidated ways to control isomer formation to increase catalytic activity.