Synergistic Effects of Phosphorus Doping and Oxygen Vacancies on Formaldehyde Oxidation over CeO${}_2$(111): A First Principles Investigation

Tarek Ayadi, Mourad Debbichi, Michael Badawi +3

Using a combination of static and dynamic density functional theory simulations, we systematically investigated how phosphorus doping and oxygen vacancies on the CeO${}_2$(111) surfa…