Density functional theory study on the role of ternary alloying elements in TiFe-based hydrogen storage alloys
Won‐Seok Ko, Ki Beom Park, Hyung-Ki Park
Topics & Concepts
Ternary operationMaterials scienceHydrogen storageHydrideDensity functional theoryHydrogenEmbrittlementStoichiometryGrain boundaryThermodynamicsHydrogen embrittlementMetallurgyPhysical chemistryComputational chemistryMicrostructureAlloyOrganic chemistryChemistryMetalPhysicsComputer scienceCorrosionProgramming languageHydrogen Storage and MaterialsCatalysis and Hydrodesulfurization StudiesMagnesium Alloys: Properties and Applications