Probing catalyst-support interactions via experiment and theory

Colorado School Of Mines, Golden CO

Investigators

Abstract

Industrial catalysts often use precious metal nanoparticles on supporting surfaces to speed up a wide range of chemical reactions that are important in the chemical industry. Carbon-based materials that contains small amounts of nitrogen represent a class of materials for catalyst supports that offer an opportunity to improve the performance of current nanoparticle catalysts. Scientists do not yet understand the fundamental interactions between the nanoparticle catalysts and these nitrogen-doped carbon supports. In this project, the research groups of Dr. Svitlana Pylypenko and Dr. Shubham Vyas of the Colorado School of Mines are using both targeted experiments and chemical computations to improve the interaction between nanoparticle catalysts and these nitrogen-doped carbon supports. Their results may produce less expensive and more earth-abundant catalysts while improving the yield of the desired product (no by-products). Drs. Pylypenko and Vyas are engaged in a multi-level outreach and educational program that involves K-12 students and teachers, as well as undergraduate and graduate researchers. Their recent developments blending experimental and computational approaches are discussed during a distinctive summer field session at the Colorado School of Mines. The insights gained by this research may advance the improve the performance of a wide range of catalytic applications that are vital to the chemical industry and domestic economy. With funding from the Chemical Catalysis Program of the Chemistry Division, Drs. Pylypenko and Vyas are developing a fundamental understanding of catalyst-support interactions by investigating nanoparticle catalysts supported on nitrogen-doped carbons. Despite abundant reports of the advantageous impact of nitrogen functional groups on catalyst nucleation, stability, and, in some instances, catalytic activity, the underlying phenomena associated with catalyst-support interactions for these systems has not yet been elucidated - mainly due to the overall complexity of the system. The team is using a synergistic approach that includes electronic structure calculations, controlled synthesis with targeted composition and morphology, and advanced ex situ and in situ characterization to decrease the cost of metal catalysts, reduce national dependence on precious metals, and lower the environmental impact associated with mining and processing. 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.