Density functional theory study on the role of ternary alloying elements in TiMn2-based hydrogen storage alloys
Won‐Seok Ko, Min-Seok Yoon, Jae Hur, Ryun-Ho Kwak, Tae-Wook Na, Hyung-Ki Park
Topics & Concepts
Hydrogen storageTernary operationDensity functional theoryMaterials scienceHydrogenThermodynamicsMetallurgyAlloyChemistryComputational chemistryComputer sciencePhysicsOrganic chemistryProgramming languageHydrogen Storage and MaterialsHybrid Renewable Energy SystemsCatalysis and Hydrodesulfurization Studies