Collaborative Research: Photocatalytic Activity Descriptors of Well-defined Surface Cobalt Sites on Carbon Nitride

With the support of the Chemical Catalysis program in the Division of Chemistry, Professor Gonghu Li of the University of New Hampshire, Professor Jier Huang of Boston College and Professor Anatoly Frenkel of Stony Brook University are studying key characteristics of catalysts that promote efficient conversion of carbon dioxide to energy-rich fuels using light. The catalysts will be prepared by placing isolated metal ions on a polymer that absorbs sunlight and generates electrons that convert carbon dioxide to fuels. The catalyst structures will be investigated using advanced spectroscopic techniques and machine learning-assisted data analysis. This research will contribute to the development of innovative catalysts for recycling carbon dioxide. With a strong focus on fundamental catalysis research, this project also provides a versatile platform for training students in the STEM fields. With the support of the Chemical Catalysis program in the Division of Chemistry, Professor Gonghu Li of the University of New Hampshire, Professor Jier Huang of Boston College and Professor Anatoly Frenkel of Stony Brook University are studying photocatalysts featuring atomically dispersed surface metal sites. The researchers with complementary expertise collaborate to investigate photocatalytic activity descriptors of single cobalt sites on graphitic carbon nitride. A series of photocatalysts with tunable charge separation and transfer properties will be synthesized. The correlation of structural/electronic and charge transfer descriptors with photocatalytic performance will be systematically examined by using a suite of advanced, real-time spectroscopic techniques including in situ/operando X-ray absorption fine structure, time resolved optical transient absorption and X-ray transient absorption spectroscopies. Machine learning will be employed for descriptor extraction from spectroscopies and their relationships with photocatalytic activity. Results obtained from this work will lead to the discovery of key descriptors for photocatalytic activities of well-defined metal sites on semiconductor support, and thus provide new insights on developing robust and economically sustainable photocatalysts. This collaborative project focuses on fundamental research in catalysis, and provides a versatile platform for training students in the STEM fields. 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.