Surface Reactivity and Surface Characterization of the Layered β(III)-CoOOH Material: an Experimental and Computational Study

In this article, we focused on the comprehension of surface reactivity layered β(III)-cobalt oxyhydroxide, β(III)-CoOOH, by implementing a multiscale study associating both experimental, characterization X-ray photoemission spectroscopy (XPS) and scanning electron microscopy first-principles calculations. The chemical properties are key factors in charge-storage mechanism, β(III)-CoOOH presents interesting characteristics to be used as pseudo-capacitive electrode materials supercapacitors thanks its large specific area (∼100 m2/gs) high electronic conductivity (10–3 1 S cm–1). (basic redox character) synthesized compounds, which consists aggregates particles with 60–100 nm length, has been explored from adsorption SO2 molecules followed XPS analyses. A kinetic allowed us identify three steps mechanism our samples. coupling computational results allows establish link between identified domains, formation sulfate sulfite species, cobalt Co3+ Co4+ species active sites along underlying processes.