Integrated Experimental-Theoretical Approach To Determine Reliable Molecular Reaction Mechanisms on Transition-Metal Oxide Surfaces.

By combining experimental and theoretical approaches, we investigate the quantitative relationship between molecular desorption temperature and binding energy on d and f metal oxide surfaces. We demonstrate how temperature-programmed desorption can be used to quantitatively correlate the theoretical surface chemistry of metal oxides (via on-site Hubbard correction) to gas surface interactions for catalytic reactions. For this purpose, both CO and NO oxidation mechanisms are studied in a step-by-step reaction process for perovskite and mullite-type oxides, respectively.

Stable and Active Oxidation Catalysis by Cooperative Lattice Oxygen Redox on SmMnO Mullite Surface.

The correlation between lattice oxygen (O) binding energy and O oxidation activity imposes a fundamental limit in developing oxide catalysts, simultaneously meeting the stringent thermal stability and catalytic activity standards for complete oxidation reactions under harsh conditions. Typically, strong O binding indicates a stable surface structure, but low O oxidation activity, and . Using nitric oxide (NO) catalytic oxidation as a model reaction, we demonstrate that this conflicting correlation can be avoided by cooperative lattice oxygen redox on SmMnO mullite oxides, leading to stable and active oxide surface structures.

Selective Extraction of Thorium from Rare Earth Elements Using Wrinkled Mesoporous Carbon.

Liquid fluoride thorium reactors have been considered as replacements for uranium-based nuclear reactors, having many economic and environmental advantages. The production of thorium is usually accompanied by the separation of thorium from rare earth elements since the major thorium production mineral, monazite, contains other rare earth elements. The conventional manufacturing process involves a liquid-liquid extraction with organic ligands.