Atomically Dispersed Pd–O Species on CeO2(111) as Highly Active Sites for Low-Temperature CO Oxidation

Ceria-supported Pd is a promising heterogeneous catalyst for CO oxidation relevant to environmental cleanup reactions. Pd loaded onto a nanorod form of ceria exposing predominantly (111) facets is already active at 50 °C. Here we report a combination of CO-FTIR spectroscopy and theoretical calculations that allows assigning different forms of Pd on the CeO 2 (111) surface during reaction conditions. Single Pd atoms stabilized in the form of PdO and PdO 2 in a CO/O 2 atmosphere participate in a catalytic cycle involving very low activation barriers for CO oxidation. The presence of single Pd atoms on the Pd/CeO 2 -nanorod, corroborated by aberration-corrected TEM and CO-FTIR spectroscopy, is considered pivotal to its high CO oxidation activity.