CO oxidation over the polyoxometalate-supported single-atom catalysts M1/POM (Fe, Co, Mn, Ru, Rh, Os, Ir, and Pt; POM = [PW12O40]3–): a computational study on the activation of surface oxygen species

Density functional theory calculations have been carried out to explore the catalytic performance of a series of the M₁/POM (M = Fe, Co, Mn, Ru, Rh, Os, Ir, and Pt; POM = [PW₁₂O₄₀]³⁻) single-atom catalysts for CO oxidation.