2 papers
cond-mat.mtrl-sci2026
Mapping the influence of symmetry breaking in structure-property relationships of ABO perovskites
Panupol Untarabut, Sylvian Cadars, Fabien Pascale +5
Perovskite oxides have emerged as an important class of material with promising energy applications owing to their compositional and structural flexibility, which enables stabiliza…
cond-mat.mtrl-sci2026
Synergistic Effects of Phosphorus Doping and Oxygen Vacancies on Formaldehyde Oxidation over CeO(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(111) surfa…