Collaborative Research: Linking Nanoscale Heterogeneities with Macroscale Reactivity of Electrocatalytic Materials

Making electrochemical materials more stable is a significant challenge. These materials are used in many energy technologies such as batteries and fuel cells. Tiny imperfections in the material — called defects — can cause the material to wear down faster. However, new experiments show that some very small, nanoscale defects might actually help make the materials more stable. It is important to understand which kinds of defects are helpful and which ones are harmful, depending on the material and the conditions it is used in. This knowledge can help scientists design materials that are both more active and longer-lasting. Also, for electrochemical technologies to be used on a larger scale, it's better to use materials that do not rely on rare or expensive elements. This research project will investigate how tiny structural differences in materials can affect how well they work and how long they last. The goal is to use this understanding to improve the performance and stability of electrodes. The project will combine the efforts of two research teams with complementary expertise, where experiments will provide unique insights into interfacial structural dynamics. The project will use liquid-phase transmission electron microscopy with near-atomic spatial resolution and high temporal resolution. By employing transmission electron microscopy, the researchers will be able to observe how different crystallographic facets of metal-oxide nanoparticles dissolve in situ and estimate dissolution rates associated with a variety of structural heterogeneities. The imaging results will be supported by electrochemical measurements and quantum-mechanical DFT simulations of thermodynamic, kinetic, and electronic-structure properties. Results will enable a more systematic design of improved catalysts for emerging electrochemical technologies, leading to reduced utilization of critical materials. The project will involve high school, undergraduate, and graduate students in Nebraska and North Carolina, who will acquire broad education in materials characterization, electrochemistry, data science, electronic-structure, and free-energy calculations. 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.