First-Principles Study of the Hydrogen Resistance Mechanism of PuO<sub>2</sub>
Le Zhang, Bo Sun, Qili Zhang, Haifeng Liu, Kezhao Liu, Haifeng Song
Abstract
can effectively inhibit hydrogen permeation.
Topics & Concepts
DissolutionHydrogenEndothermic processDensity functional theoryOxideDiffusionChemical physicsAb initioHydrogen atomMaterials scienceThermodynamicsChemistryPhysical chemistryComputational chemistryPhysicsMetallurgyOrganic chemistryAlkylAdsorptionNuclear Materials and PropertiesRadioactive element chemistry and processingHydrogen Storage and Materials