Expanding the Catalytic Scope of Atomically Precise Transition Metal Chalcogenide Clusters with Edge Sites

With the support of the Chemical Synthesis (SYN) program in the Division of Chemistry, Professor Alexandra Velian of the University of Washington is studying the development of new catalytic platforms that mimic defect sites found in inorganic heterogeneous catalysts. This research could enable more efficient and selective chemical transformations of small, abundant molecules such as carbon dioxide, nitrogen, methane, and water into useful, value-added products. If successful, the work may contribute to addressing global environmental and energy challenges. The project will also incorporate broad-based educational and outreach initiatives aimed at engaging and retaining students in STEM fields. In addition, Professor Velian’s team plans to raise public awareness of catalysis and its societal benefits through outreach to both scientific and non-scientific communities. The research will focus on designing atomically precise transition metal chalcogenide clusters that contain well-defined catalytic sites embedded in molecular structures. These platforms will be used to emulate the active sites and cooperative interactions found in heterogeneous catalysts. This project will explore how structural and electronic communication between catalytic centers and their supports influences reactivity, selectivity, and efficiency. A key goal is to understand how metal–support interactions modify metal–substrate binding throughout catalytic cycles. The project will combine synthetic chemistry, spectroscopy, and computational modeling to guide the design of next-generation catalytic systems. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.