This project combines experimental and computational methods aimed at discovering optimal bi-functional catalyst formulations and structures for the electrochemical oxidation of the poisonous gas, carbon monoxide. A key element of the research is the use of extremely small catalyst particles (containing only several hundred atoms) that are partially coated with a protective layer of molecules called dendrimers that keep the metal particles from coalescing. The research team is conducting density functional theory (DFT) calculations of the entire nanoparticle structure for various combinations of metals - one which adsorbs carbon monoxide and one which adsorbs oxygen dissociatively. From a scientific/technical standpoint, the project is advancing the dendrimer-aided approach to catalyst synthesis, with a clearer understanding of the nature of the particles that are produced and their catalytic activity. The study is extending previous work on bi-metallic particles to metal-metal oxide systems, with corresponding extension of computational and characterization efforts. The synthesis, characterization, and modeling tools developed during the course of this study have broad applicability to a wide range of reactions and catalyst formulations, and the software tools will be freely distributed to the catalysis science community.