Atomic Level Structure-activity Relationship of Small Molecule Activation on Single Atom Catalysts Supported on 2D Boron-based Materials
Lead Principal Investigator:
Prof. Fang Xu, Assistant Professor

Department of Chemistry, the University of Texas at San Antonio

Partner:
Dr. Darío J. Stacchiola
Center for Functional Nanomaterials, Brookhaven National Laboratory

Borophene is an emerging 2D catalytic material for energy and environmental applications. The hollow hexagon structure on borophene is predicted to provide strong metal-support interactions allowing to stabilize single-atom catalysts (SACs) and small clusters, which have been proven to enhance catalytic performance in numerous reactions. This proposed research project aims to experimentally study small molecule activation (H₂, CO₂, and C₂H₄) over SACs and small clusters supported on boron-based 2D materials. Advanced microscopy and spectroscopy, including cutting-edge ambient pressure techniques, at the University of Texas at San Antonio (UTSA, PI) and Brookhaven National Laboratory (BNL, Partner) will be used to study the boron growth, visualize the atomic structure of the surface, quantify surface composition across pressure regimes, and measure reaction kinetics. The combined results will reveal structure-activity relationships over SACs and small clusters supported on novel 2D boron-based materials. The proposed research project also presents a distinctive and valuable opportunity to introduce students from the San Antonio area to cutting-edge equipment and a national laboratory setting. Two graduate students from UT San Antonio each year will be sponsored by this project and complete a half-year rotation at CFN, BNL. Thus, a significant portion of the funding will be used to train and educate underrepresented minority students in the field of materials and chemical sciences. This represents an important step toward creating a cohort of minority role-model scientists and developing the future workforce in the field of science and engineering.