Electronic parameters in cobalt-based perovskite-type oxides as descriptors for chemocatalytic reactions.

ABSTRACT: Perovskite-type transition metal (TM) oxides are effective catalysts in oxidation and decomposition reactions. Yet, the effect of compositional variation on catalytic efficacy is not well understood. The present analysis of electronic characteristics of B-site substituted LaCoO₃ derivatives via in situ X-ray absorption spectroscopy (XAS) establishes correlations of electronic parameters with reaction rates: TM t_2g and e_g orbital occupancy yield volcano-type or non-linear correlations with NO oxidation, CO oxidation and N₂O decomposition rates. Covalent O 2p-TM 3d interaction, in ultra-high vacuum, is a linear descriptor for reaction rates in NO oxidation and CO oxidation, and for N₂O decomposition rates in O₂ presence. Coval

SUBMITTER: Simbock J 

PROVIDER: S-EPMC6994687 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature