Abstract
ABSTRACT The reduction mechanism of NO to N2 on CeO2-supported Pt and Pd nanoclusters (Pt/CeO2 and Pd/CeO2) is analyzed using density functional theory. Different NO decomposition and N2 formation pathways are evaluated, and the thermodynamically preferable paths are identified. The energy barrier of NO decomposition on Pt/CeO2 indicates that the rate of reaction via metallic cluster sites and the ceria oxygen vacancies are comparable. In contrast, the cluster metallic sites of the Pd/CeO2 induce a lower energy barrier of NO decomposition relative to the oxygen CeO2 vacancy sites. The N2 formation on the Pt/CeO2 preferentially occurs via the N–N association, whereas the N2O deoxidation is energetically preferred on the Pd/CeO2.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
