Deconvoluting XPS Spectra of La-Containing Perovskites from First-Principles.

ABSTRACT: Perovskite-based oxides are used in electrochemical CO₂ and H₂O reduction in electrochemical cells due to their compositional versatility, redox properties, and stability. However, limited knowledge exists on the mechanisms driving these processes. Toward this understanding, herein we probe the core level binding energy shifts of water-derived adspecies (H, O, OH, H₂O) as well as the adsorption of CO₂ on LaCoO₃ and LaNiO₃ and correlate the simulated peaks with experimental temperature-programmed X-ray photoelectron spectroscopy (TPXPS) results. We find that the strong adsorption of such chemical species can affect the antiferromagnetic ordering of LaNiO₃. The adsorption of such adspecies is further quantified thro

SUBMITTER: Whitten A 

PROVIDER: S-EPMC11350717 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature