First-principles insights of hydrogen diffusion dynamics at the α-Al2O3 (0001) surface
Wenjun Wu, Xueling Lei, Shuying Zhong, Baozhen Sun, Chuying Ouyang
Topics & Concepts
HydrogenPermeationChemical physicsActivation energyDiffusionDopantMaterials scienceMolecular dynamicsVacancy defectKineticsTritiumChemistryInorganic chemistryChemical engineeringDopingPhysical chemistryCrystallographyThermodynamicsComputational chemistryMembraneOrganic chemistryNuclear physicsEngineeringOptoelectronicsBiochemistryPhysicsQuantum mechanicsFusion materials and technologiesNuclear Materials and PropertiesHydrogen Storage and Materials