Interactions of hydrogen with zirconium alloying elements and oxygen vacancies in monoclinic zirconia
Émile Haurat, Jean-Paul Crocombette, Marc Tupin
Topics & Concepts
HydrogenMaterials scienceMonoclinic crystal systemZirconiumCubic zirconiaOxygenFermi levelVacancy defectChemical physicsBinding energyInterstitial defectCrystallographic defectDensity functional theoryCrystallographyComputational chemistryAtomic physicsCrystal structureMetallurgyChemistryCeramicElectronPhysicsOptoelectronicsOrganic chemistryQuantum mechanicsDopingNuclear Materials and PropertiesMolten salt chemistry and electrochemical processesFusion materials and technologies