The interaction of oxygen with the γ-U (001) and (110) surfaces: An ab initio study
Chenglong Qin, Yushu Yu, Zihan Xu, Jiguang Du, Liang Zhao, Gang Jiang
Topics & Concepts
AdsorptionAb initioDissociation (chemistry)Density functional theoryMoleculeChemistryPhysical chemistryChemical physicsAtom (system on chip)DiffusionAb initio quantum chemistry methodsOctahedronSurface diffusionComputational chemistryMetalMaterials scienceCrystallographyThermodynamicsCrystal structureEmbedded systemComputer sciencePhysicsOrganic chemistryNuclear Materials and PropertiesRadioactive element chemistry and processingFusion materials and technologies