TAILORING METAL-PEROVSKITE INTERACTIONS TO ENHANCE THE ACTIVITY AND STABILITY OF METAL REFORMING CATALYSTS
Abstract
The fundamental properties of perovskite-supported metal catalysts will be investigated for endothermic reforming in hypersonic aircraft. Catalysts formed by exsolving metal ions from perovskite lattices during high-temperature reduction are known to be active and coke-tolerant, and have catalytic properties whose origins are not well understood. We will examine the properties of these catalysts using experimental and computational approaches with the goal of developing a framework for predicting their properties. Experimentally, metals supported on thin-film perovskites synthesized by Atomic Layer Deposition (ALD) on high-surface-area oxides will be studied, while computationally, we will use first-principles modeling of metal-perovskite systems including systems with stark modifications. The mechanisms underlying metal-ion migration in the perovskite films will be studied at the atomic level allowing us to predict and tailor their unique catalytic properties. In addition to examining the dependence of perovskite composition, we will study how the support used for the perovskite film influences the crystallographic orientations and other properties of the perovskite and how this in turn affects the catalytic activities of metals on their surface. To link the experimental and computational results, the thermodynamics of metal oxidation will be used as a descriptor of catalytic activity. Model studies of metals on perovskite single crystals will be used to determine the relationship between bulk and thin-film perovskites as supports for metal catalysts. The overall goal of the program will be to understand and control three interactions within the system: metal with reactants, metal with thin film perovskite, and thin film perovskite with high-surface-area support.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Apr 20, 2023
- Source ID
- FA95502210457
Entities
People
- Aleksandra Vojvodic
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of Pennsylvania