Collaborative Research: CAS: Exploring New Routes to Catalytic Nitrogen Fixation

In this project, Professors Alexander Miller of the University of North Carolina at Chapel Hill, Alan Goldman of Rutgers University, and Patrick Holland of Yale University are studying methods to convert nitrogen (N2), which is the major component of air, into ammonia (NH3) through electrochemical catalysis. Electrochemical nitrogen fixation at low temperature and pressure could enable on-site production of fertilizer or fuels from air and electricity, while reducing vulnerabilities associated with global supply chain disruptions. Because electrochemical processes can be powered by a wide range of energy sources and operate at ambient temperature and pressure, they may offer significant advantages over the current energy-intensive industrial process, which requires high temperatures and pressures. The project provides a highly collaborative environment, ideal for training future scientific leaders. The team will also expand the NitrogenFixers.org outreach program by working with groups of teachers to develop and disseminate hands-on electrochemistry activities, thereby extending the program’s reach to a large student audience through both in-person and remote learning. The technical approach is focused on a specific mechanism of ammonia synthesis that can be considered in two halves: (a) binding N2 in a bridging fashion and splitting into nitride complexes, and (b) nitride reduction via proton-coupled electron transfer (PCET). The project will leverage insights into the features that promote N2 splitting and PCET to nitrides to establish new electrocatalysts for N2 reduction. The approach rests on three foundational research methods: theory and computations guiding catalyst development; electrocatalysis performance assessment; and mechanistic investigation to understand promising systems. Using these methods, the team will explore new catalyst designs, examine the roles of promoters tailored to the N2 splitting mechanism, and consider co-catalysis strategies for improved ammonia synthesis. 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.